# Ni–Si phases > Ni–Si system: 19 phases (tier A 8, tier C 5, liquid 1, needs_review 5); 17 stable in a calculated diagram in the ORCHID phase registry, with names, structure type when the stored evidence supports an assignment under the stated tier rules, calculated stability, verbatim TDB PHASE/CONSTITUENT statements and example references. HTML: https://data.orchid-project.org/phases/pages/NI-SI.html · Markdown: https://data.orchid-project.org/phases/pages/NI-SI.md 19 phases (tier A 8, tier C 5, liquid 1, needs_review 5); 17 stable in a calculated diagram. Structure types are assigned only when the stored evidence supports an assignment under the stated tier rules (tier A: standard phase name; tier B: unique Materials Project + OQMD on-hull match, DFT-supported; tier C: one structure stated by the assessment's crystallographic table, assessor-stated); other phases list candidates and are marked needs_review. Stability is from phase diagrams calculated with pycalphad from the SGTE binary collection (evidence class: model). Data: [interactive registry](https://orchid-project.org/phases/?q=NI-SI) · [full JSON](https://data.orchid-project.org/phases/systems/NI-SI.json) · [Ni–Si system page](https://data.orchid-project.org/systems/NI-SI.html) · [Markdown](https://data.orchid-project.org/phases/pages/NI-SI.md) · [field reference](https://data.orchid-project.org/phases/SCHEMA.md) Table: Phases of the Ni–Si system (19) | Phase | Structure | Basis | Stability (calculated) | Literature values | TDB models | |---|---|---|---|---:|---:| | [DIAMOND_A4](#phase-ni-si-a4-diamond); _phase:ni-si:a4-diamond_ | C (diamond) · A4 · cF8 · Fd-3m (227) | tier A: standard phase name | stable in 10 of 10 calculated diagram(s): 300–2499.34 K, x(Si) 0.99999–1 | 7 | 10 | | [BCC_A2](#phase-ni-si-bcc-a2); _phase:ni-si:bcc-a2_ | W · A2 · cI2 · Im-3m (229) | tier A: standard phase name | not stable in 10 calculated diagram(s) | 0 | 10 | | [FCC_4SL](#phase-ni-si-fcc-4sl); _phase:ni-si:fcc-4sl_ | | needs_review | stable in 2 of 2 calculated diagram(s): 300–1730.22 K, x(Si) 0–0.25 | 10 | 2 | | [FCC_A1](#phase-ni-si-fcc-a1); _phase:ni-si:fcc-a1_ | Cu · A1 · cF4 · Fm-3m (225) | tier A: standard phase name | stable in 10 of 10 calculated diagram(s): 300–1739.46 K, x(Si) 0–0.17029 | 36 | 16 | | [L12_FCC](#phase-ni-si-fcc-l12); _phase:ni-si:fcc-l12_ | AuCu3 · L1_2 · cP4 · Pm-3m (221) | tier A: standard phase name | stable in 4 of 4 calculated diagram(s): 300–1735.13 K, x(Si) 0–0.25273 | 19 | 4 | | [HCP_A3](#phase-ni-si-hcp-a3); _phase:ni-si:hcp-a3_ | Mg · A3 · hP2 · P6_3/mmc (194) | tier A: standard phase name | not stable in 10 calculated diagram(s) | 0 | 10 | | [LIQUID](#phase-ni-si-liquid); _phase:ni-si:liquid_ | liquid | liquid | stable in 10 of 10 calculated diagram(s): 1216.37–2500 K, x(Si) 0–1 | 104 | 10 | | [NI2SI_C37](#phase-ni-si-ni2si-c37); _phase:ni-si:ni2si-c37_ | Co2Si · C37 · oP12 · Pnma (62) | tier A: standard phase name | stable in 10 of 10 calculated diagram(s): 300–1540.21 K, x(Si) 0.33333–0.33333 | 35 | 10 | | [NI2SI_THETA](#phase-ni-si-ni2si-theta); _phase:ni-si:ni2si-theta_ | Ni2Si · hP6 · P6_322 (182) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 10 of 10 calculated diagram(s): 1086.66–1565.12 K, x(Si) 0.33515–0.39793 | 40 | 10 | | [NI3SI_H](#phase-ni-si-ni3si-h); _phase:ni-si:ni3si-h_ | | needs_review | stable in 10 of 10 calculated diagram(s): 1387.74–1472.58 K, x(Si) 0.2412–0.25 | 44 | 10 | | [NI3SI_L12](#phase-ni-si-ni3si-l12); _phase:ni-si:ni3si-l12_ | | needs_review | stable in 4 of 4 calculated diagram(s): 300–1440 K, x(Si) 0.22478–0.71 | 9 | 4 | | [NI3SI_M](#phase-ni-si-ni3si-m); _phase:ni-si:ni3si-m_ | Ge9Pd25 · hP34 · P-3 (147) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 10 of 10 calculated diagram(s): 1260–1401.56 K, x(Si) 0.23926–0.25 | 42 | 10 | | [NI3SI2](#phase-ni-si-ni3si2); _phase:ni-si:ni3si2_ | Ni3Si2 · oP80 · Cmc2_1 (36) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 9 of 9 calculated diagram(s): 300–1150.12 K, x(Si) 0.4–0.4 | 17 | 9 | | [NI3SI2_H](#phase-ni-si-ni3si2-h); _phase:ni-si:ni3si2-h_ | | needs_review | stable in 1 of 1 calculated diagram(s): 1074.56–1118.33 K, x(Si) 0.39564–0.399 | 0 | 1 | | [NI3SI2_L](#phase-ni-si-ni3si2-l); _phase:ni-si:ni3si2-l_ | Ni3Si2 · oP80 · Cmc2_1 (36) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 1 of 1 calculated diagram(s): 300–1091.87 K, x(Si) 0.38126–0.3911 | 0 | 1 | | [NI5SI2](#phase-ni-si-ni5si2); _phase:ni-si:ni5si2_ | Ni31Si12 · hP43 · P321 (150) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 10 of 10 calculated diagram(s): 300–1519.07 K, x(Si) 0.28187–0.28571 | 68 | 10 | | [NISI_B31](#phase-ni-si-nisi-b31); _phase:ni-si:nisi-b31_ | MnP · B31 · oP8 · Pnma (62) | tier A: standard phase name | stable in 10 of 10 calculated diagram(s): 300–1264.52 K, x(Si) 0.5–0.5 | 36 | 10 | | [NISI2_C1](#phase-ni-si-nisi2-c1); _phase:ni-si:nisi2-c1_ | CaF2 · C1 · cF12 · Fm-3m (225) | tier A: standard phase name | stable in 10 of 10 calculated diagram(s): 300–1271.84 K, x(Si) 0.66667–0.66667 | 17 | 10 | | [NISI2_H](#phase-ni-si-nisi2-h); _phase:ni-si:nisi2-h_ | | needs_review | stable in 1 of 1 calculated diagram(s): 1254.16–1265.93 K, x(Si) 0.66667–0.66667 | 0 | 1 | ## DIAMOND_A4 (Ni–Si) - Id: `phase:ni-si:a4-diamond`; status `assigned` - Structure: C (diamond) · A4 · cF8 · Fd-3m (227); type `st:a4-c-diamond-cf8`; tier A: standard phase name; confidence high - Stability: stable in 10 of 10 calculated diagram(s): 300–2499.34 K, x(Si) 0.99999–1 - Literature: 7 values (7 accepted) from 2 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:a4-diamond) Names (14): _corpus: _corpus:phase:ni-si:a4-diamond, corpus:phase:ni-si:diamond-a4 _paper: _paper:10.1007/s11661-999-0249-8:(Si), paper:10.1016/s0364-5916(03)00049-x:Si _tdb: _tdb:NiSi-01Tok.tdb:DIAMOND_A4, tdb:NiSi-03Tok.tdb:DIAMOND_A4, tdb:NiSi-04Tok.tdb:DIAMOND_A4, tdb:NiSi-05Mie.tdb:DIAMOND_A4, tdb:NiSi-12Yua-condensed.tdb:DIAMOND_A4, tdb:NiSi-12Yua.tdb:DIAMOND_A4, tdb:NiSi-19Tan.tdb:DIAMOND_A4, tdb:NiSi-23Wit.tdb:DIAMOND_A4, tdb:NiSi-96Lin-LB.tdb:DIAMOND_A4, tdb:NiSi-99Du.tdb:DIAMOND_A4 ### TDB models of DIAMOND_A4 (10): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): DIAMOND_A4, type code %, sha256 `9ab1c4ee638279e6…` ~~~~text 45: PHASE DIAMOND_A4 % 1 1 ! 46: CONST DIAMOND_A4 : SI : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): DIAMOND_A4, type code %, sha256 `ee5e3bdd5a592a96…` ~~~~text 56: PHASE DIAMOND_A4 % 1 1 ! 57: CONST DIAMOND_A4 : SI : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): DIAMOND_A4, type code %, sha256 `fddb61bcca4568f7…` ~~~~text 45: PHASE DIAMOND_A4 % 1 1 ! 46: CONST DIAMOND_A4 : SI : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): DIAMOND_A4, type code %, sha256 `9648c90351118a83…` ~~~~text 45: PHASE DIAMOND_A4 % 1 1 ! 46: CONST DIAMOND_A4 : SI : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): DIAMOND_A4, type code %, sha256 `e633542474820818…` ~~~~text 59: PHASE DIAMOND_A4 % 1 1 ! 60: CONST DIAMOND_A4 : SI : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): DIAMOND_A4, type code %, sha256 `8ae79a3ebc52338b…` ~~~~text 59: PHASE DIAMOND_A4 % 1 1 ! 60: CONST DIAMOND_A4 : SI : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): DIAMOND_A4, type code %, sha256 `475fc5ee08a75ffd…` ~~~~text 65: PHASE DIAMOND_A4 % 1 1 ! 66: CONST DIAMOND_A4 : SI : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): DIAMOND_A4, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 49: PHASE DIAMOND_A4 % 1 1 ! 50: CONST DIAMOND_A4 : NI SI% : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): DIAMOND_A4, type code %, sha256 `5c51324a82a8ab23…` ~~~~text 63: PHASE DIAMOND_A4 % 1 1 ! 64: CONST DIAMOND_A4 : SI : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): DIAMOND_A4, type code %, sha256 `d88fb63b655b9623…` ~~~~text 72: PHASE DIAMOND_A4 % 1 1 ! 73: CONST DIAMOND_A4 : SI : ! ~~~~ Example references (9 of 9; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase_ ## BCC_A2 (Ni–Si) - Id: `phase:ni-si:bcc-a2`; status `assigned` - Structure: W · A2 · cI2 · Im-3m (229); type `st:a2-w-ci2`; tier A: standard phase name; confidence high - Stability: not stable in 10 calculated diagram(s) - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:bcc-a2) Names (11): _corpus: _corpus:phase:ni-si:bcc-a2 _tdb: _tdb:NiSi-01Tok.tdb:BCC_A2, tdb:NiSi-03Tok.tdb:BCC_A2, tdb:NiSi-04Tok.tdb:BCC_A2, tdb:NiSi-05Mie.tdb:BCC_A2, tdb:NiSi-12Yua-condensed.tdb:BCC_A2, tdb:NiSi-12Yua.tdb:BCC_A2, tdb:NiSi-19Tan.tdb:BCC_A2, tdb:NiSi-23Wit.tdb:BCC_A2, tdb:NiSi-96Lin-LB.tdb:BCC_A2, tdb:NiSi-99Du.tdb:BCC_A2 ### TDB models of BCC_A2 (10): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): BCC_A2, type code %B, sha256 `9ab1c4ee638279e6…` ~~~~text 35: PHASE BCC_A2 %B 2 1 3 ! 36: CONST BCC_A2 : NI SI : VA : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): BCC_A2, type code %B, sha256 `ee5e3bdd5a592a96…` ~~~~text 46: PHASE BCC_A2 %B 2 1 3 ! 47: CONST BCC_A2 : NI SI : VA : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): BCC_A2, type code %B, sha256 `fddb61bcca4568f7…` ~~~~text 35: PHASE BCC_A2 %B 2 1 3 ! 36: CONST BCC_A2 : NI SI : VA : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): BCC_A2, type code %B, sha256 `9648c90351118a83…` ~~~~text 35: PHASE BCC_A2 %B 2 1 3 ! 36: CONST BCC_A2 : NI SI : VA : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): BCC_A2, type code %B, sha256 `e633542474820818…` ~~~~text 49: PHASE BCC_A2 %B 2 1 3 ! 50: CONST BCC_A2 : NI SI : VA : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): BCC_A2, type code %B, sha256 `8ae79a3ebc52338b…` ~~~~text 49: PHASE BCC_A2 %B 2 1 3 ! 50: CONST BCC_A2 : NI SI : VA : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): BCC_A2, type code %B, sha256 `475fc5ee08a75ffd…` ~~~~text 55: PHASE BCC_A2 %B 2 1 3 ! 56: CONST BCC_A2 : NI SI : VA : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): BCC_A2, type code %B, sha256 `1e259769eaadd7a6…` ~~~~text 39: PHASE BCC_A2 %B 2 1 3 ! 40: CONST BCC_A2 : NI SI : VA : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): BCC_A2, type code %B, sha256 `5c51324a82a8ab23…` ~~~~text 53: PHASE BCC_A2 %B 2 1 3 ! 54: CONST BCC_A2 : NI SI : VA : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): BCC_A2, type code %B, sha256 `d88fb63b655b9623…` ~~~~text 62: PHASE BCC_A2 %B 2 1 3 ! 63: CONST BCC_A2 : NI SI : VA : ! ~~~~ Example references (8 of 8; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ ## FCC_4SL (Ni–Si) - Id: `phase:ni-si:fcc-4sl`; status `needs_review` - No structure assigned. Why: assessment_declared_blocked_by:order_disorder_ambiguity; order_disorder_ambiguity:NiSi-12Yua-condensed.tdb_model_is_partitioned; order_disorder_ambiguity:NiSi-12Yua.tdb_model_is_partitioned; sgte_mmc2_row_disagrees_with_name:FCC_4SL; unrecognised_name_tokens:4SL - Candidate (dft_mp): Pm-3m (221) — on-hull MP SiNi3 at x(SI)=0.2500 - Candidate (dft_oqmd): Pm-3m (221) — on-hull OQMD Ni3 Si1 at x(SI)=0.2500 - Candidate (name_token): Cu · A1 · cF4 · Fm-3m (225) — Strukturbericht/word 'A1' in the TDB name - Candidate (sgte_mmc2): AuCu3 · L1_2 · cP4 · Pm-3m (221) — Hallstedt 2025 mmc2 row for FCC_4SL: Ag3Mg, Al3Li, AlNi3, AlPt3, Au3Cu, AuCu3, Co3Pt, CoPt3, Cr3Pt, CrPt3, Cu3Pt, FeNi3, Fe3Pt, FePt3, MnNi3, Ni3Pt, NiPt3, Ni3Si (beta-1) - Candidate (tdb_comment): AuCu3 · cP4 · Pm-3m — NiSi-12Yua-condensed.tdb: 'Prototype AuCu3 (cP4, Pm-3m) and AuCu (tP4, P4/mmm)' - Candidate (tdb_comment): AuCu3 · cP4 · Pm-3m — NiSi-12Yua.tdb: 'Prototype AuCu3 (cP4, Pm-3m) and AuCu (tP4, P4/mmm)' - Stability: stable in 2 of 2 calculated diagram(s): 300–1730.22 K, x(Si) 0–0.25 - Literature: 10 values (10 accepted) from 1 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:fcc-4sl) Names (6): _corpus: _corpus:phase:ni-si:fcc-4sl _paper: _paper:10.1016/j.matchemphys.2012.04.028:Ni3Si–L12, paper:10.1016/j.matchemphys.2012.04.028:NiSi3–L12, paper:10.1016/j.matchemphys.2012.04.028:NiSi–L10 _tdb: _tdb:NiSi-12Yua-condensed.tdb:FCC_4SL, tdb:NiSi-12Yua.tdb:FCC_4SL ### TDB models of FCC_4SL (2): PHASE and CONSTITUENT statements as written [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): FCC_4SL, type code %AY, sha256 `e633542474820818…` ~~~~text 44: PHASE FCC_4SL:F %AY 5 0.25 0.25 0.25 0.25 1 ! 45: CONST FCC_4SL:F : NI% SI : NI% SI : NI% SI : NI SI% : VA : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): FCC_4SL, type code %AY, sha256 `8ae79a3ebc52338b…` ~~~~text 44: PHASE FCC_4SL %AY 5 0.25 0.25 0.25 0.25 1 ! 45: CONST FCC_4SL : NI% SI : NI% SI : NI% SI : NI SI% : VA : ! ~~~~ Example references (3 of 3; assessments first): - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase; reports values for this phase_ - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _cited as the source of values for this phase_ - [doi:10.1016/j.jallcom.2010.10.118](https://doi.org/10.1016/j.jallcom.2010.10.118) Damien Connétable, Olivier Thomas, First-principles study of nickel-silicides ordered phases, Journal of Alloys and Compounds 509, 2639-2644 (2011). _cited as the source of values for this phase_ ## FCC_A1 (Ni–Si) - Id: `phase:ni-si:fcc-a1`; status `assigned` - Structure: Cu · A1 · cF4 · Fm-3m (225); type `st:a1-cu-cf4`; tier A: standard phase name; confidence high - Stability: stable in 10 of 10 calculated diagram(s): 300–1739.46 K, x(Si) 0–0.17029 - Literature: 36 values (36 accepted) from 3 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:fcc-a1) Names (20): _corpus: _corpus:phase:ni-si:fcc-a1 _paper: _paper:10.1007/s11661-999-0249-8:(Ni), paper:10.1016/j.calphad.2005.08.001:fcc, paper:10.1016/s0364-5916(03)00049-x:(Ni) _tdb: _tdb:NiSi-01Tok.tdb:FCC_A1, tdb:NiSi-03Tok.tdb:A1_FCC, tdb:NiSi-03Tok.tdb:FCC_A1, tdb:NiSi-04Tok.tdb:FCC_A1, tdb:NiSi-05Mie.tdb:FCC_A1, tdb:NiSi-12Yua-condensed.tdb:A1_FCC, tdb:NiSi-12Yua-condensed.tdb:FCC_A1, tdb:NiSi-12Yua.tdb:A1_FCC, tdb:NiSi-12Yua.tdb:FCC_A1, tdb:NiSi-19Tan.tdb:A1_FCC, tdb:NiSi-19Tan.tdb:FCC_A1, tdb:NiSi-23Wit.tdb:FCC_A1, tdb:NiSi-96Lin-LB.tdb:A1_FCC, tdb:NiSi-96Lin-LB.tdb:FCC_A1, tdb:NiSi-99Du.tdb:A1_FCC, tdb:NiSi-99Du.tdb:FCC_A1 ### TDB models of FCC_A1 (16): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): FCC_A1, type code %A, sha256 `9ab1c4ee638279e6…` ~~~~text 30: PHASE FCC_A1 %A 2 1 1 ! 31: CONST FCC_A1 : NI% SI : VA : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): A1_FCC, type code %A, sha256 `ee5e3bdd5a592a96…` ~~~~text 36: PHASE A1_FCC %A 2 1 1 ! 37: CONST A1_FCC : NI% SI : VA : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): FCC_A1, type code %A, sha256 `ee5e3bdd5a592a96…` ~~~~text 31: PHASE FCC_A1 %A 2 1 1 ! 32: CONST FCC_A1 : NI% SI : VA : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): FCC_A1, type code %A, sha256 `fddb61bcca4568f7…` ~~~~text 30: PHASE FCC_A1 %A 2 1 1 ! 31: CONST FCC_A1 : NI% SI : VA : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): FCC_A1, type code %A, sha256 `9648c90351118a83…` ~~~~text 30: PHASE FCC_A1 %A 2 1 1 ! 31: CONST FCC_A1 : NI% SI : VA : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): A1_FCC, type code %A, sha256 `e633542474820818…` ~~~~text 39: PHASE A1_FCC %A 2 1 1 ! 40: CONST A1_FCC : NI% SI : VA : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): FCC_A1, type code %A, sha256 `e633542474820818…` ~~~~text 34: PHASE FCC_A1 %A 2 1 1 ! 35: CONST FCC_A1 : NI% SI : VA : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): A1_FCC, type code %A, sha256 `8ae79a3ebc52338b…` ~~~~text 39: PHASE A1_FCC %A 2 1 1 ! 40: CONST A1_FCC : NI% SI : VA : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): FCC_A1, type code %A, sha256 `8ae79a3ebc52338b…` ~~~~text 34: PHASE FCC_A1 %A 2 1 1 ! 35: CONST FCC_A1 : NI% SI : VA : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): A1_FCC, type code %A, sha256 `475fc5ee08a75ffd…` ~~~~text 45: PHASE A1_FCC %A 2 1 1 ! 46: CONST A1_FCC : NI% SI : VA : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): FCC_A1, type code %A, sha256 `475fc5ee08a75ffd…` ~~~~text 40: PHASE FCC_A1 %A 2 1 1 ! 41: CONST FCC_A1 : NI% SI : VA : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): FCC_A1, type code %A, sha256 `1e259769eaadd7a6…` ~~~~text 34: PHASE FCC_A1 %A 2 1 1 ! 35: CONST FCC_A1 : NI% SI : VA : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): A1_FCC, type code %A, sha256 `5c51324a82a8ab23…` ~~~~text 43: PHASE A1_FCC %A 2 1 1 ! 44: CONST A1_FCC : NI% SI : VA : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): FCC_A1, type code %A, sha256 `5c51324a82a8ab23…` ~~~~text 38: PHASE FCC_A1 %A 2 1 1 ! 39: CONST FCC_A1 : NI% SI : VA : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): A1_FCC, type code %A, sha256 `d88fb63b655b9623…` ~~~~text 47: PHASE A1_FCC %A 2 1 1 ! 48: CONST A1_FCC : NI% SI : VA : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): FCC_A1, type code %A, sha256 `d88fb63b655b9623…` ~~~~text 42: PHASE FCC_A1 %A 2 1 1 ! 43: CONST FCC_A1 : NI% SI : VA : ! ~~~~ Example references (10 of 11; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase_ - [doi:10.1515/ijmr-1983-740105](https://doi.org/10.1515/ijmr-1983-740105) Y. Oya, T. Suzuki, Z. Metallkd. 74 (1983) 21–24. _cited as the source of values for this phase_ ## L12_FCC (Ni–Si) - Id: `phase:ni-si:fcc-l12`; status `assigned` - Structure: AuCu3 · L1_2 · cP4 · Pm-3m (221); type `st:l1-2-aucu3-cp4`; tier A: standard phase name; confidence high - Caveat: NiSi-03Tok.tdb: ordered phase with disordered part A1_FCC (order/disorder model) - Caveat: NiSi-19Tan.tdb: ordered phase with disordered part A1_FCC (order/disorder model) - Caveat: NiSi-96Lin-LB.tdb: ordered phase with disordered part A1_FCC (order/disorder model) - Caveat: NiSi-99Du.tdb: ordered phase with disordered part A1_FCC (order/disorder model) - Caveat: partitioned order/disorder model in NiSi-03Tok.tdb also describes the disordered state - Caveat: partitioned order/disorder model in NiSi-19Tan.tdb also describes the disordered state - Caveat: partitioned order/disorder model in NiSi-96Lin-LB.tdb also describes the disordered state - Caveat: partitioned order/disorder model in NiSi-99Du.tdb also describes the disordered state - Stability: stable in 4 of 4 calculated diagram(s): 300–1735.13 K, x(Si) 0–0.25273 - Literature: 19 values (19 accepted) from 2 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:fcc-l12) Names (8): _corpus: _corpus:phase:ni-si:fcc-l12, corpus:phase:ni-si:l12-fcc _paper: _paper:10.1007/s11661-999-0249-8:β1, paper:10.1016/s0364-5916(03)00049-x:β1 _tdb: _tdb:NiSi-03Tok.tdb:L12_FCC, tdb:NiSi-19Tan.tdb:L12_FCC, tdb:NiSi-96Lin-LB.tdb:L12_FCC, tdb:NiSi-99Du.tdb:L12_FCC ### TDB models of L12_FCC (4): PHASE and CONSTITUENT statements as written [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): L12_FCC, type code %AY, sha256 `ee5e3bdd5a592a96…` ~~~~text 41: PHASE L12_FCC %AY 3 0.75 0.25 1 ! 42: CONST L12_FCC : NI% SI : NI SI% : VA : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): L12_FCC, type code %AY, sha256 `475fc5ee08a75ffd…` ~~~~text 50: PHASE L12_FCC %AY 3 0.75 0.25 1 ! 51: CONST L12_FCC : NI% SI : NI SI% : VA : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): L12_FCC, type code %AY, sha256 `5c51324a82a8ab23…` ~~~~text 48: PHASE L12_FCC %AY 3 0.75 0.25 1 ! 49: CONST L12_FCC : NI% SI : NI SI% : VA : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): L12_FCC, type code %AY, sha256 `d88fb63b655b9623…` ~~~~text 52: PHASE L12_FCC %AY 3 0.75 0.25 1 ! 53: CONST L12_FCC : NI% SI : NI SI% : VA : ! ~~~~ Example references (6 of 6; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase_ - [doi:10.1515/ijmr-1983-740105](https://doi.org/10.1515/ijmr-1983-740105) Y. Oya, T. Suzuki, Z. Metallkd. 74 (1983) 21–24. _cited as the source of values for this phase_ - [doi:10.1515/ijmr-1984-751005](https://doi.org/10.1515/ijmr-1984-751005) S. Lebaili, S.H. Thibault, Z. Metallkd. 75 (1984) 764–770. _cited as the source of values for this phase_ ## HCP_A3 (Ni–Si) - Id: `phase:ni-si:hcp-a3`; status `assigned` - Structure: Mg · A3 · hP2 · P6_3/mmc (194); type `st:a3-mg-hp2`; tier A: standard phase name; confidence high - Stability: not stable in 10 calculated diagram(s) - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:hcp-a3) Names (11): _corpus: _corpus:phase:ni-si:hcp-a3 _tdb: _tdb:NiSi-01Tok.tdb:HCP_A3, tdb:NiSi-03Tok.tdb:HCP_A3, tdb:NiSi-04Tok.tdb:HCP_A3, tdb:NiSi-05Mie.tdb:HCP_A3, tdb:NiSi-12Yua-condensed.tdb:HCP_A3, tdb:NiSi-12Yua.tdb:HCP_A3, tdb:NiSi-19Tan.tdb:HCP_A3, tdb:NiSi-23Wit.tdb:HCP_A3, tdb:NiSi-96Lin-LB.tdb:HCP_A3, tdb:NiSi-99Du.tdb:HCP_A3 ### TDB models of HCP_A3 (10): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): HCP_A3, type code %A, sha256 `9ab1c4ee638279e6…` ~~~~text 40: PHASE HCP_A3 %A 2 1 0.5 ! 41: CONST HCP_A3 : NI SI : VA : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): HCP_A3, type code %A, sha256 `ee5e3bdd5a592a96…` ~~~~text 51: PHASE HCP_A3 %A 2 1 0.5 ! 52: CONST HCP_A3 : NI SI : VA : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): HCP_A3, type code %A, sha256 `fddb61bcca4568f7…` ~~~~text 40: PHASE HCP_A3 %A 2 1 0.5 ! 41: CONST HCP_A3 : NI SI : VA : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): HCP_A3, type code %A, sha256 `9648c90351118a83…` ~~~~text 40: PHASE HCP_A3 %A 2 1 0.5 ! 41: CONST HCP_A3 : NI SI : VA : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): HCP_A3, type code %A, sha256 `e633542474820818…` ~~~~text 54: PHASE HCP_A3 %A 2 1 0.5 ! 55: CONST HCP_A3 : NI SI : VA : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): HCP_A3, type code %A, sha256 `8ae79a3ebc52338b…` ~~~~text 54: PHASE HCP_A3 %A 2 1 0.5 ! 55: CONST HCP_A3 : NI SI : VA : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): HCP_A3, type code %A, sha256 `475fc5ee08a75ffd…` ~~~~text 60: PHASE HCP_A3 %A 2 1 0.5 ! 61: CONST HCP_A3 : NI SI : VA : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): HCP_A3, type code %A, sha256 `1e259769eaadd7a6…` ~~~~text 44: PHASE HCP_A3 %A 2 1 0.5 ! 45: CONST HCP_A3 : NI SI : VA : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): HCP_A3, type code %A, sha256 `5c51324a82a8ab23…` ~~~~text 58: PHASE HCP_A3 %A 2 1 0.5 ! 59: CONST HCP_A3 : NI SI : VA : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): HCP_A3, type code %A, sha256 `d88fb63b655b9623…` ~~~~text 67: PHASE HCP_A3 %A 2 1 0.5 ! 68: CONST HCP_A3 : NI SI : VA : ! ~~~~ Example references (8 of 8; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ ## LIQUID (Ni–Si) - Id: `phase:ni-si:liquid`; status `assigned` - Structure: liquid; type `st:liquid`; liquid; confidence high - Stability: stable in 10 of 10 calculated diagram(s): 1216.37–2500 K, x(Si) 0–1 - Literature: 104 values (104 accepted) from 3 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:liquid) Names (14): _corpus: _corpus:phase:ni-si:liquid _paper: _paper:10.1007/s11661-999-0249-8:L, paper:10.1016/j.calphad.2005.08.001:L, paper:10.1016/s0364-5916(03)00049-x:Liquid _tdb: _tdb:NiSi-01Tok.tdb:LIQUID, tdb:NiSi-03Tok.tdb:LIQUID, tdb:NiSi-04Tok.tdb:LIQUID, tdb:NiSi-05Mie.tdb:LIQUID, tdb:NiSi-12Yua-condensed.tdb:LIQUID, tdb:NiSi-12Yua.tdb:LIQUID, tdb:NiSi-19Tan.tdb:LIQUID, tdb:NiSi-23Wit.tdb:LIQUID, tdb:NiSi-96Lin-LB.tdb:LIQUID, tdb:NiSi-99Du.tdb:LIQUID ### TDB models of LIQUID (10): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): LIQUID, type code %, sha256 `9ab1c4ee638279e6…` ~~~~text 25: PHASE LIQUID:L % 1 1 ! 26: CONST LIQUID:L : NI SI : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): LIQUID, type code %, sha256 `ee5e3bdd5a592a96…` ~~~~text 26: PHASE LIQUID:L % 1 1 ! 27: CONST LIQUID:L : NI SI : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): LIQUID, type code %, sha256 `fddb61bcca4568f7…` ~~~~text 25: PHASE LIQUID:L % 1 1 ! 26: CONST LIQUID:L : NI SI : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): LIQUID, type code %, sha256 `9648c90351118a83…` ~~~~text 25: PHASE LIQUID:L % 1 1 ! 26: CONST LIQUID:L : NI SI : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): LIQUID, type code %, sha256 `e633542474820818…` ~~~~text 29: PHASE LIQUID:L % 1 1 ! 30: CONST LIQUID:L : NI SI : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): LIQUID, type code %, sha256 `8ae79a3ebc52338b…` ~~~~text 29: PHASE LIQUID:L % 1 1 ! 30: CONST LIQUID:L : NI SI : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): LIQUID, type code %, sha256 `475fc5ee08a75ffd…` ~~~~text 35: PHASE LIQUID:L % 1 1 ! 36: CONST LIQUID:L : NI SI : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): LIQUID, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 29: PHASE LIQUID:L % 1 1 ! 30: CONST LIQUID:L : NI SI : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): LIQUID, type code %, sha256 `5c51324a82a8ab23…` ~~~~text 33: PHASE LIQUID:L % 1 1 ! 34: CONST LIQUID:L : NI SI : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): LIQUID, type code %, sha256 `d88fb63b655b9623…` ~~~~text 37: PHASE LIQUID:L % 1 1 ! 38: CONST LIQUID:L : NI SI : ! ~~~~ Example references (10 of 12; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase_ - [doi:10.1515/ijmr-1983-740105](https://doi.org/10.1515/ijmr-1983-740105) Y. Oya, T. Suzuki, Z. Metallkd. 74 (1983) 21–24. _cited as the source of values for this phase_ ## NI2SI_C37 (Ni–Si) - Id: `phase:ni-si:ni2si-c37`; status `assigned` - Structure: Co2Si · C37 · oP12 · Pnma (62); type `st:c37-co2si-op12`; tier A: standard phase name; confidence high - Caveat: DFT agrees: on-hull mp-aaaaabra and oqmd-4675, space group 62 - Stoichiometry: Ni 0.6667, Si 0.3333 - Stability: stable in 10 of 10 calculated diagram(s): 300–1540.21 K, x(Si) 0.33333–0.33333 - Literature: 35 values (35 accepted) from 4 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:ni2si-c37) Names (18): _corpus: _corpus:phase:ni-si:ni2si-c37 _mp: _mp:mp-aaaaabra _oqmd: _oqmd:oqmd-4675 _paper: _paper:10.1007/bf02663838:δ, paper:10.1007/s11661-999-0249-8:δ, paper:10.1016/j.calphad.2005.08.001:δ, paper:10.1016/s0364-5916(03)00049-x:Ni2Si(δ), paper:10.1016/s0364-5916(03)00049-x:δ _tdb: _tdb:NiSi-01Tok.tdb:NI2SI_C37, tdb:NiSi-03Tok.tdb:NI2SI_C37, tdb:NiSi-04Tok.tdb:NI2SI_C37, tdb:NiSi-05Mie.tdb:NI2SI_C37, tdb:NiSi-12Yua-condensed.tdb:NI2SI_C37, tdb:NiSi-12Yua.tdb:NI2SI_C37, tdb:NiSi-19Tan.tdb:NI2SI_C37, tdb:NiSi-23Wit.tdb:NI2SI_C37, tdb:NiSi-96Lin-LB.tdb:NI2SI_C37, tdb:NiSi-99Du.tdb:NI2SI_C37 ### TDB models of NI2SI_C37 (10): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): NI2SI_C37, type code %, sha256 `9ab1c4ee638279e6…` ~~~~text 70: PHASE NI2SI_C37 % 2 2 1 ! 71: CONST NI2SI_C37 : NI : SI : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): NI2SI_C37, type code %, sha256 `ee5e3bdd5a592a96…` ~~~~text 76: PHASE NI2SI_C37 % 2 2 1 ! 77: CONST NI2SI_C37 : NI : SI : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): NI2SI_C37, type code %, sha256 `fddb61bcca4568f7…` ~~~~text 70: PHASE NI2SI_C37 % 2 2 1 ! 71: CONST NI2SI_C37 : NI : SI : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): NI2SI_C37, type code %, sha256 `9648c90351118a83…` ~~~~text 70: PHASE NI2SI_C37 % 2 2 1 ! 71: CONST NI2SI_C37 : NI : SI : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): NI2SI_C37, type code %, sha256 `e633542474820818…` ~~~~text 79: PHASE NI2SI_C37 % 2 2 1 ! 80: CONST NI2SI_C37 : NI : SI : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): NI2SI_C37, type code %, sha256 `8ae79a3ebc52338b…` ~~~~text 79: PHASE NI2SI_C37 % 2 2 1 ! 80: CONST NI2SI_C37 : NI : SI : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): NI2SI_C37, type code %, sha256 `475fc5ee08a75ffd…` ~~~~text 85: PHASE NI2SI_C37 % 2 2 1 ! 86: CONST NI2SI_C37 : NI : SI : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): NI2SI_C37, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 74: PHASE NI2SI_C37 % 2 2 1 ! 75: CONST NI2SI_C37 : NI : SI : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): NI2SI_C37, type code %, sha256 `5c51324a82a8ab23…` ~~~~text 83: PHASE NI2SI_C37 % 2 2 1 ! 84: CONST NI2SI_C37 : NI : SI : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): NI2SI_C37, type code %, sha256 `d88fb63b655b9623…` ~~~~text 92: PHASE NI2SI_C37 % 2 2 1 ! 93: CONST NI2SI_C37 : NI : SI : ! ~~~~ Example references (10 of 13; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase; reports values for this phase_ - [doi:10.1515/ijmr-1983-740105](https://doi.org/10.1515/ijmr-1983-740105) Y. Oya, T. Suzuki, Z. Metallkd. 74 (1983) 21–24. _cited as the source of values for this phase_ ## NI2SI_THETA (Ni–Si) - Id: `phase:ni-si:ni2si-theta`; status `assigned` - Structure: Ni2Si · hP6 · P6_322 (182); type `st:ni2si-hp6`; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated - Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) [doi:10.1016/j.calphad.2025.102833](https://doi.org/10.1016/j.calphad.2025.102833) - Caveat: not certain from the name or DFT alone (no_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system - Stability: stable in 10 of 10 calculated diagram(s): 1086.66–1565.12 K, x(Si) 0.33515–0.39793 - Literature: 40 values (40 accepted) from 4 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:ni2si-theta) Names (15): _corpus: _corpus:phase:ni-si:ni2si-theta _paper: _paper:10.1007/bf02663838:θ, paper:10.1007/s11661-999-0249-8:θ, paper:10.1016/j.calphad.2005.08.001:θ, paper:10.1016/s0364-5916(03)00049-x:θ _tdb: _tdb:NiSi-01Tok.tdb:NI2SI_THETA, tdb:NiSi-03Tok.tdb:NI2SI_THETA, tdb:NiSi-04Tok.tdb:NI2SI_THETA, tdb:NiSi-05Mie.tdb:NI2SI_THETA, tdb:NiSi-12Yua-condensed.tdb:NI2SI_THETA, tdb:NiSi-12Yua.tdb:NI2SI_THETA, tdb:NiSi-19Tan.tdb:NI2SI_THETA, tdb:NiSi-23Wit.tdb:NI2SI_THETA, tdb:NiSi-96Lin-LB.tdb:NI2SI_THETA, tdb:NiSi-99Du.tdb:NI2SI_THETA ### TDB models of NI2SI_THETA (10): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): NI2SI_THETA, type code %, sha256 `9ab1c4ee638279e6…` ~~~~text 76: PHASE NI2SI_THETA % 3 1 1 1 ! 77: CONST NI2SI_THETA : NI : NI% VA : SI : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): NI2SI_THETA, type code %, sha256 `ee5e3bdd5a592a96…` ~~~~text 82: PHASE NI2SI_THETA % 3 1 1 1 ! 83: CONST NI2SI_THETA : NI : NI% VA : SI : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): NI2SI_THETA, type code %, sha256 `fddb61bcca4568f7…` ~~~~text 76: PHASE NI2SI_THETA % 3 1 1 1 ! 77: CONST NI2SI_THETA : NI : NI% VA : SI : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): NI2SI_THETA, type code %, sha256 `9648c90351118a83…` ~~~~text 76: PHASE NI2SI_THETA % 3 1 1 1 ! 77: CONST NI2SI_THETA : NI : NI% VA : SI : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): NI2SI_THETA, type code %, sha256 `e633542474820818…` ~~~~text 85: PHASE NI2SI_THETA % 3 1 1 1 ! 86: CONST NI2SI_THETA : NI : NI% VA : SI : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): NI2SI_THETA, type code %, sha256 `8ae79a3ebc52338b…` ~~~~text 85: PHASE NI2SI_THETA % 3 1 1 1 ! 86: CONST NI2SI_THETA : NI : NI% VA : SI : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): NI2SI_THETA, type code %, sha256 `475fc5ee08a75ffd…` ~~~~text 91: PHASE NI2SI_THETA % 3 1 1 1 ! 92: CONST NI2SI_THETA : NI : NI% VA : SI : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): NI2SI_THETA, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 80: PHASE NI2SI_THETA % 3 1 1 1 ! 81: CONST NI2SI_THETA : NI : NI% VA : SI% VA : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): NI2SI_THETA, type code %, sha256 `5c51324a82a8ab23…` ~~~~text 89: PHASE NI2SI_THETA % 3 1 1 1 ! 90: CONST NI2SI_THETA : NI : NI% VA : SI : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): NI2SI_THETA, type code %, sha256 `d88fb63b655b9623…` ~~~~text 98: PHASE NI2SI_THETA % 3 1 1 1 ! 99: CONST NI2SI_THETA : NI : NI% VA : SI : ! ~~~~ Example references (10 of 10; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase; reports values for this phase_ - [doi:10.1007/bf02868885](https://doi.org/10.1007/bf02868885) P. Nash, A. Nash, Bull. Alloy Phase Diagrams 8 (1987) 6–14. _cited as the source of values for this phase_ ## NI3SI_H (Ni–Si) - Id: `phase:ni-si:ni3si-h`; status `needs_review` - No structure assigned. Why: name_has_descriptive_tokens:H; no_structure_token; sgte_mmc2_rows_disagree - Candidate (dft_mp): Pm-3m (221) — on-hull MP SiNi3 at x(SI)=0.2500 - Candidate (dft_oqmd): Pm-3m (221) — on-hull OQMD Ni3 Si1 at x(SI)=0.2500 - Candidate (literature_printed): BiF3 · cF16 — printed with a label mapped to this phase - Candidate (sgte_mmc2): CsCl · B2 · cP2 · Pm-3m (221) — Hallstedt 2025 mmc2 row for NI3SI_H: Ni3Si (beta-3, NI3SI_H is either B2 or D03) - Candidate (sgte_mmc2): BiF3 · D0_3 · cF16 · Fm-3m (225) — Hallstedt 2025 mmc2 row for NI3SI_H: Ni3Si (beta-3, NI3SI_H is either B2 or D03) - Candidate (tdb_comment): CsCl · cP2 · Pm-3m, B2 — NiSi-01Tok.tdb: 'Prototype CsCl (cP2, Pm-3m, B2) or BiF3 (cF16, Fm-3m, D0_3), beta-3' - Candidate (tdb_comment): CsCl · cP2 · Pm-3m, B2 — NiSi-03Tok.tdb: 'Prototype CsCl (cP2, Pm-3m, B2) or BiF3 (cF16, Fm-3m, D0_3), beta-3' - Candidate (tdb_comment): CsCl · cP2 · Pm-3m, B2 — NiSi-04Tok.tdb: 'Prototype CsCl (cP2, Pm-3m, B2) or BiF3 (cF16, Fm-3m, D0_3), beta-3' - Stability: stable in 10 of 10 calculated diagram(s): 1387.74–1472.58 K, x(Si) 0.2412–0.25 - Literature: 44 values (44 accepted) from 3 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:ni3si-h) Names (14): _corpus: _corpus:phase:ni-si:ni3si-h _paper: _paper:10.1007/s11661-999-0249-8:β3, paper:10.1016/j.calphad.2005.08.001:β3, paper:10.1016/s0364-5916(03)00049-x:β3 _tdb: _tdb:NiSi-01Tok.tdb:NI3SI_H, tdb:NiSi-03Tok.tdb:NI3SI_H, tdb:NiSi-04Tok.tdb:NI3SI_H, tdb:NiSi-05Mie.tdb:NI3SI_H, tdb:NiSi-12Yua-condensed.tdb:NI3SI_H, tdb:NiSi-12Yua.tdb:NI3SI_H, tdb:NiSi-19Tan.tdb:NI3SI_H, tdb:NiSi-23Wit.tdb:NI3SI_H, tdb:NiSi-96Lin-LB.tdb:NI3SI_H, tdb:NiSi-99Du.tdb:NI3SI_H ### TDB models of NI3SI_H (10): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): NI3SI_H, type code %, sha256 `9ab1c4ee638279e6…` ~~~~text 60: PHASE NI3SI_H % 2 3 1 ! 61: CONST NI3SI_H : NI : SI : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): NI3SI_H, type code %, sha256 `ee5e3bdd5a592a96…` ~~~~text 66: PHASE NI3SI_H % 2 3 1 ! 67: CONST NI3SI_H : NI : SI : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): NI3SI_H, type code %, sha256 `fddb61bcca4568f7…` ~~~~text 60: PHASE NI3SI_H % 2 3 1 ! 61: CONST NI3SI_H : NI : SI : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): NI3SI_H, type code %, sha256 `9648c90351118a83…` ~~~~text 60: PHASE NI3SI_H % 2 3 1 ! 61: CONST NI3SI_H : NI : SI : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): NI3SI_H, type code %, sha256 `e633542474820818…` ~~~~text 69: PHASE NI3SI_H % 2 3 1 ! 70: CONST NI3SI_H : NI : SI : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): NI3SI_H, type code %, sha256 `8ae79a3ebc52338b…` ~~~~text 69: PHASE NI3SI_H % 2 3 1 ! 70: CONST NI3SI_H : NI : SI : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): NI3SI_H, type code %, sha256 `475fc5ee08a75ffd…` ~~~~text 75: PHASE NI3SI_H % 2 3 1 ! 76: CONST NI3SI_H : NI : SI : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): NI3SI_H, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 64: PHASE NI3SI_H % 2 3 1 ! 65: CONST NI3SI_H : NI : NI SI% : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): NI3SI_H, type code %, sha256 `5c51324a82a8ab23…` ~~~~text 73: PHASE NI3SI_H % 2 3 1 ! 74: CONST NI3SI_H : NI : SI : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): NI3SI_H, type code %, sha256 `d88fb63b655b9623…` ~~~~text 82: PHASE NI3SI_H % 2 3 1 ! 83: CONST NI3SI_H : NI : SI : ! ~~~~ Example references (10 of 11; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase_ - [doi:10.1515/ijmr-1983-740105](https://doi.org/10.1515/ijmr-1983-740105) Y. Oya, T. Suzuki, Z. Metallkd. 74 (1983) 21–24. _cited as the source of values for this phase_ ## NI3SI_L12 (Ni–Si) - Id: `phase:ni-si:ni3si-l12`; status `needs_review` - No structure assigned. Why: assessment_declared_blocked_by:models_disagree_on_composition; models_disagree_on_composition; stoichiometry_contradicts_L1_2:NiSi-01Tok.tdb; stoichiometry_contradicts_L1_2:NiSi-05Mie.tdb - Candidate (dft_mp): P321 (150) — on-hull MP Si12Ni31 at x(SI)=0.2791 - Candidate (dft_mp): Fm-3m (225) — on-hull MP Si2Ni at x(SI)=0.6667 - Candidate (dft_mp): Pnma (62) — on-hull MP SiNi at x(SI)=0.5000 - Candidate (dft_mp): Pnma (62) — on-hull MP SiNi2 at x(SI)=0.3333 - Candidate (dft_mp): Pm-3m (221) — on-hull MP SiNi3 at x(SI)=0.2500 - Candidate (dft_oqmd): Pnma (62) — on-hull OQMD Ni1 Si1 at x(SI)=0.5000 - Candidate (dft_oqmd): Fm-3m (225) — on-hull OQMD Ni1 Si2 at x(SI)=0.6667 - Candidate (dft_oqmd): Pnma (62) — on-hull OQMD Ni2 Si1 at x(SI)=0.3333 - Stability: stable in 4 of 4 calculated diagram(s): 300–1440 K, x(Si) 0.22478–0.71 - Literature: 9 values (9 accepted) from 1 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:ni3si-l12) Names (6): _corpus: _corpus:phase:ni-si:ni3si-l12 _paper: _paper:10.1016/j.calphad.2005.08.001:β1 _tdb: _tdb:NiSi-01Tok.tdb:NI3SI_L12, tdb:NiSi-04Tok.tdb:NI3SI_L12, tdb:NiSi-05Mie.tdb:NI3SI_L12, tdb:NiSi-23Wit.tdb:NI3SI_L12 ### TDB models of NI3SI_L12 (4): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): NI3SI_L12, type code %, sha256 `9ab1c4ee638279e6…` ~~~~text 50: PHASE NI3SI_L12 % 2 0.763 0.237 ! 51: CONST NI3SI_L12 : NI : SI : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): NI3SI_L12, type code %A, sha256 `fddb61bcca4568f7…` ~~~~text 50: PHASE NI3SI_L12 %A 2 0.75 0.25 ! 51: CONST NI3SI_L12 : NI% SI : NI SI% : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): NI3SI_L12, type code %, sha256 `9648c90351118a83…` ~~~~text 50: PHASE NI3SI_L12 % 2 0.76 0.24 ! 51: CONST NI3SI_L12 : NI : SI : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): NI3SI_L12, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 54: PHASE NI3SI_L12 % 2 0.75 0.25 ! 55: CONST NI3SI_L12 : NI% SI : NI SI% : ! ~~~~ Example references (7 of 7; assessments first): - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase_ - [doi:10.1515/ijmr-1983-740105](https://doi.org/10.1515/ijmr-1983-740105) Y. Oya, T. Suzuki, Z. Metallkd. 74 (1983) 21–24. _cited as the source of values for this phase_ - [doi:10.1515/ijmr-1984-751005](https://doi.org/10.1515/ijmr-1984-751005) S. Lebaili, S.H. Thibault, Z. Metallkd. 75 (1984) 764–770. _cited as the source of values for this phase_ ## NI3SI_M (Ni–Si) - Id: `phase:ni-si:ni3si-m`; status `assigned` - Structure: Ge9Pd25 · hP34 · P-3 (147); type `st:ge9pd25-hp34`; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated - Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) [doi:10.1016/j.calphad.2025.102833](https://doi.org/10.1016/j.calphad.2025.102833) - Caveat: not certain from the name or DFT alone (name_has_descriptive_tokens:M, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system - Stability: stable in 10 of 10 calculated diagram(s): 1260–1401.56 K, x(Si) 0.23926–0.25 - Literature: 42 values (42 accepted) from 3 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:ni3si-m) Names (14): _corpus: _corpus:phase:ni-si:ni3si-m _paper: _paper:10.1007/s11661-999-0249-8:β2, paper:10.1016/j.calphad.2005.08.001:β2, paper:10.1016/s0364-5916(03)00049-x:β2 _tdb: _tdb:NiSi-01Tok.tdb:NI3SI_M, tdb:NiSi-03Tok.tdb:NI3SI_M, tdb:NiSi-04Tok.tdb:NI3SI_M, tdb:NiSi-05Mie.tdb:NI3SI_M, tdb:NiSi-12Yua-condensed.tdb:NI3SI_M, tdb:NiSi-12Yua.tdb:NI3SI_M, tdb:NiSi-19Tan.tdb:NI3SI_M, tdb:NiSi-23Wit.tdb:NI3SI_M, tdb:NiSi-96Lin-LB.tdb:NI3SI_M, tdb:NiSi-99Du.tdb:NI3SI_M ### TDB models of NI3SI_M (10): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): NI3SI_M, type code %, sha256 `9ab1c4ee638279e6…` ~~~~text 55: PHASE NI3SI_M % 2 3 1 ! 56: CONST NI3SI_M : NI : SI : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): NI3SI_M, type code %, sha256 `ee5e3bdd5a592a96…` ~~~~text 61: PHASE NI3SI_M % 2 3 1 ! 62: CONST NI3SI_M : NI : SI : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): NI3SI_M, type code %, sha256 `fddb61bcca4568f7…` ~~~~text 55: PHASE NI3SI_M % 2 3 1 ! 56: CONST NI3SI_M : NI : SI : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): NI3SI_M, type code %, sha256 `9648c90351118a83…` ~~~~text 55: PHASE NI3SI_M % 2 3 1 ! 56: CONST NI3SI_M : NI : SI : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): NI3SI_M, type code %, sha256 `e633542474820818…` ~~~~text 64: PHASE NI3SI_M % 2 3 1 ! 65: CONST NI3SI_M : NI : SI : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): NI3SI_M, type code %, sha256 `8ae79a3ebc52338b…` ~~~~text 64: PHASE NI3SI_M % 2 3 1 ! 65: CONST NI3SI_M : NI : SI : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): NI3SI_M, type code %, sha256 `475fc5ee08a75ffd…` ~~~~text 70: PHASE NI3SI_M % 2 3 1 ! 71: CONST NI3SI_M : NI : SI : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): NI3SI_M, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 59: PHASE NI3SI_M % 2 3 1 ! 60: CONST NI3SI_M : NI : NI SI% : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): NI3SI_M, type code %, sha256 `5c51324a82a8ab23…` ~~~~text 68: PHASE NI3SI_M % 2 3 1 ! 69: CONST NI3SI_M : NI : SI : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): NI3SI_M, type code %, sha256 `d88fb63b655b9623…` ~~~~text 77: PHASE NI3SI_M % 2 3 1 ! 78: CONST NI3SI_M : NI : SI : ! ~~~~ Example references (10 of 11; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase_ - [doi:10.1515/ijmr-1983-740105](https://doi.org/10.1515/ijmr-1983-740105) Y. Oya, T. Suzuki, Z. Metallkd. 74 (1983) 21–24. _cited as the source of values for this phase_ ## NI3SI2 (Ni–Si) - Id: `phase:ni-si:ni3si2`; status `assigned` - Structure: Ni3Si2 · oP80 · Cmc2_1 (36); type `st:ni3si2-op80`; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated - Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) [doi:10.1016/j.calphad.2025.102833](https://doi.org/10.1016/j.calphad.2025.102833) - Caveat: not certain from the name or DFT alone (no_on_hull_entry_in_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system - Stoichiometry: Ni 0.6000, Si 0.4000 - Stability: stable in 9 of 9 calculated diagram(s): 300–1150.12 K, x(Si) 0.4–0.4 - Literature: 17 values (17 accepted) from 2 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:ni3si2) Names (13): _corpus: _corpus:phase:ni-si:ni3si2 _paper: _paper:10.1007/s11661-999-0249-8:ε, paper:10.1016/s0364-5916(03)00049-x:Ni3Si2(ε), paper:10.1016/s0364-5916(03)00049-x:ε _tdb: _tdb:NiSi-01Tok.tdb:NI3SI2, tdb:NiSi-03Tok.tdb:NI3SI2, tdb:NiSi-04Tok.tdb:NI3SI2, tdb:NiSi-05Mie.tdb:NI3SI2, tdb:NiSi-12Yua-condensed.tdb:NI3SI2, tdb:NiSi-12Yua.tdb:NI3SI2, tdb:NiSi-19Tan.tdb:NI3SI2, tdb:NiSi-96Lin-LB.tdb:NI3SI2, tdb:NiSi-99Du.tdb:NI3SI2 ### TDB models of NI3SI2 (9): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): NI3SI2, type code %, sha256 `9ab1c4ee638279e6…` ~~~~text 81: PHASE NI3SI2 % 2 3 2 ! 82: CONST NI3SI2 : NI : SI : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): NI3SI2, type code %, sha256 `ee5e3bdd5a592a96…` ~~~~text 87: PHASE NI3SI2 % 2 3 2 ! 88: CONST NI3SI2 : NI : SI : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): NI3SI2, type code %, sha256 `fddb61bcca4568f7…` ~~~~text 81: PHASE NI3SI2 % 2 3 2 ! 82: CONST NI3SI2 : NI : SI : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): NI3SI2, type code %, sha256 `9648c90351118a83…` ~~~~text 81: PHASE NI3SI2 % 2 3 2 ! 82: CONST NI3SI2 : NI : SI : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): NI3SI2, type code %, sha256 `e633542474820818…` ~~~~text 90: PHASE NI3SI2 % 2 3 2 ! 91: CONST NI3SI2 : NI : SI : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): NI3SI2, type code %, sha256 `8ae79a3ebc52338b…` ~~~~text 90: PHASE NI3SI2 % 2 3 2 ! 91: CONST NI3SI2 : NI : SI : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): NI3SI2, type code %, sha256 `475fc5ee08a75ffd…` ~~~~text 96: PHASE NI3SI2 % 2 3 2 ! 97: CONST NI3SI2 : NI : SI : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): NI3SI2, type code %, sha256 `5c51324a82a8ab23…` ~~~~text 94: PHASE NI3SI2 % 2 3 2 ! 95: CONST NI3SI2 : NI : SI : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): NI3SI2, type code %, sha256 `d88fb63b655b9623…` ~~~~text 103: PHASE NI3SI2 % 2 3 2 ! 104: CONST NI3SI2 : NI : SI : ! ~~~~ Example references (8 of 8; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase_ ## NI3SI2_H (Ni–Si) - Id: `phase:ni-si:ni3si2-h`; status `needs_review` - No structure assigned. Why: name_has_descriptive_tokens:H; no_structure_token; sgte_mmc2_row_incomplete - Candidate (sgte_mmc2): (Ni3Si2-ht) — Hallstedt 2025 mmc2 row for NI3SI2_H: Ni3Si2 (high T) - Stability: stable in 1 of 1 calculated diagram(s): 1074.56–1118.33 K, x(Si) 0.39564–0.399 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:ni3si2-h) Names (2): _corpus: _corpus:phase:ni-si:ni3si2-h _tdb: _tdb:NiSi-23Wit.tdb:NI3SI2_H ### TDB models of NI3SI2_H (1): PHASE and CONSTITUENT statements as written [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): NI3SI2_H, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 90: PHASE NI3SI2_H % 2 0.61 0.39 ! 91: CONST NI3SI2_H : NI% SI : NI SI% : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ ## NI3SI2_L (Ni–Si) - Id: `phase:ni-si:ni3si2-l`; status `assigned` - Structure: Ni3Si2 · oP80 · Cmc2_1 (36); type `st:ni3si2-op80`; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated - Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) [doi:10.1016/j.calphad.2025.102833](https://doi.org/10.1016/j.calphad.2025.102833) - Caveat: not certain from the name or DFT alone (name_has_descriptive_tokens:L, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system - Stability: stable in 1 of 1 calculated diagram(s): 300–1091.87 K, x(Si) 0.38126–0.3911 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:ni3si2-l) Names (2): _corpus: _corpus:phase:ni-si:ni3si2-l _tdb: _tdb:NiSi-23Wit.tdb:NI3SI2_L ### TDB models of NI3SI2_L (1): PHASE and CONSTITUENT statements as written [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): NI3SI2_L, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 85: PHASE NI3SI2_L % 2 0.62 0.38 ! 86: CONST NI3SI2_L : NI% SI : NI SI% : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ ## NI5SI2 (Ni–Si) - Id: `phase:ni-si:ni5si2`; status `assigned` - Structure: Ni31Si12 · hP43 · P321 (150); type `st:ni31si12-hp43`; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated - Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) [doi:10.1016/j.calphad.2025.102833](https://doi.org/10.1016/j.calphad.2025.102833) - Caveat: not certain from the name or DFT alone (no_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system - Stability: stable in 10 of 10 calculated diagram(s): 300–1519.07 K, x(Si) 0.28187–0.28571 - Literature: 68 values (68 accepted) from 4 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:ni5si2) Names (16): _corpus: _corpus:phase:ni-si:ni5si2 _paper: _paper:10.1007/bf02663838:γ, paper:10.1007/s11661-999-0249-8:γ, paper:10.1016/j.calphad.2005.08.001:γ, paper:10.1016/s0364-5916(03)00049-x:Ni5Si2(γ), paper:10.1016/s0364-5916(03)00049-x:γ _tdb: _tdb:NiSi-01Tok.tdb:NI5SI2, tdb:NiSi-03Tok.tdb:NI5SI2, tdb:NiSi-04Tok.tdb:NI5SI2, tdb:NiSi-05Mie.tdb:NI5SI2, tdb:NiSi-12Yua-condensed.tdb:NI5SI2, tdb:NiSi-12Yua.tdb:NI5SI2, tdb:NiSi-19Tan.tdb:NI5SI2, tdb:NiSi-23Wit.tdb:NI5SI2, tdb:NiSi-96Lin-LB.tdb:NI5SI2, tdb:NiSi-99Du.tdb:NI5SI2 ### TDB models of NI5SI2 (10): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): NI5SI2, type code %, sha256 `9ab1c4ee638279e6…` ~~~~text 65: PHASE NI5SI2 % 2 5 2 ! 66: CONST NI5SI2 : NI : SI : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): NI5SI2, type code %, sha256 `ee5e3bdd5a592a96…` ~~~~text 71: PHASE NI5SI2 % 2 5 2 ! 72: CONST NI5SI2 : NI : SI : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): NI5SI2, type code %, sha256 `fddb61bcca4568f7…` ~~~~text 65: PHASE NI5SI2 % 2 5 2 ! 66: CONST NI5SI2 : NI : SI : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): NI5SI2, type code %, sha256 `9648c90351118a83…` ~~~~text 65: PHASE NI5SI2 % 2 5 2 ! 66: CONST NI5SI2 : NI : SI : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): NI5SI2, type code %, sha256 `e633542474820818…` ~~~~text 74: PHASE NI5SI2 % 2 5 2 ! 75: CONST NI5SI2 : NI : SI : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): NI5SI2, type code %, sha256 `8ae79a3ebc52338b…` ~~~~text 74: PHASE NI5SI2 % 2 5 2 ! 75: CONST NI5SI2 : NI : SI : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): NI5SI2, type code %, sha256 `475fc5ee08a75ffd…` ~~~~text 80: PHASE NI5SI2 % 2 5 2 ! 81: CONST NI5SI2 : NI : SI : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): NI5SI2, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 69: PHASE NI5SI2 % 2 5 2 ! 70: CONST NI5SI2 : NI : SI% VA : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): NI5SI2, type code %, sha256 `5c51324a82a8ab23…` ~~~~text 78: PHASE NI5SI2 % 2 5 2 ! 79: CONST NI5SI2 : NI : SI : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): NI5SI2, type code %, sha256 `d88fb63b655b9623…` ~~~~text 87: PHASE NI5SI2 % 2 5 2 ! 88: CONST NI5SI2 : NI : SI : ! ~~~~ Example references (10 of 12; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase; reports values for this phase_ - [doi:10.1515/ijmr-1983-740105](https://doi.org/10.1515/ijmr-1983-740105) Y. Oya, T. Suzuki, Z. Metallkd. 74 (1983) 21–24. _cited as the source of values for this phase_ ## NISI_B31 (Ni–Si) - Id: `phase:ni-si:nisi-b31`; status `assigned` - Structure: MnP · B31 · oP8 · Pnma (62); type `st:b31-mnp-op8`; tier A: standard phase name; confidence high - Caveat: DFT agrees: on-hull mp-aaaaaann and oqmd-5883, space group 62 - Stoichiometry: Ni 0.5000, Si 0.5000 - Stability: stable in 10 of 10 calculated diagram(s): 300–1264.52 K, x(Si) 0.5–0.5 - Literature: 36 values (36 accepted) from 3 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:nisi-b31) Names (17): _corpus: _corpus:phase:ni-si:nisi-b31 _mp: _mp:mp-aaaaaann _oqmd: _oqmd:oqmd-5883 _paper: _paper:10.1007/bf02663838:NiSi, paper:10.1007/bf02663838:αNiSi_2, paper:10.1007/s11661-999-0249-8:NiSi, paper:10.1016/s0364-5916(03)00049-x:NiSi _tdb: _tdb:NiSi-01Tok.tdb:NISI_B31, tdb:NiSi-03Tok.tdb:NISI_B31, tdb:NiSi-04Tok.tdb:NISI_B31, tdb:NiSi-05Mie.tdb:NISI_B31, tdb:NiSi-12Yua-condensed.tdb:NISI_B31, tdb:NiSi-12Yua.tdb:NISI_B31, tdb:NiSi-19Tan.tdb:NISI_B31, tdb:NiSi-23Wit.tdb:NISI_B31, tdb:NiSi-96Lin-LB.tdb:NISI_B31, tdb:NiSi-99Du.tdb:NISI_B31 ### TDB models of NISI_B31 (10): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): NISI_B31, type code %, sha256 `9ab1c4ee638279e6…` ~~~~text 86: PHASE NISI_B31 % 2 1 1 ! 87: CONST NISI_B31 : NI : SI : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): NISI_B31, type code %, sha256 `ee5e3bdd5a592a96…` ~~~~text 92: PHASE NISI_B31 % 2 1 1 ! 93: CONST NISI_B31 : NI : SI : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): NISI_B31, type code %, sha256 `fddb61bcca4568f7…` ~~~~text 86: PHASE NISI_B31 % 2 1 1 ! 87: CONST NISI_B31 : NI : SI : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): NISI_B31, type code %, sha256 `9648c90351118a83…` ~~~~text 86: PHASE NISI_B31 % 2 1 1 ! 87: CONST NISI_B31 : NI : SI : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): NISI_B31, type code %, sha256 `e633542474820818…` ~~~~text 95: PHASE NISI_B31 % 2 1 1 ! 96: CONST NISI_B31 : NI : SI : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): NISI_B31, type code %, sha256 `8ae79a3ebc52338b…` ~~~~text 95: PHASE NISI_B31 % 2 1 1 ! 96: CONST NISI_B31 : NI : SI : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): NISI_B31, type code %, sha256 `475fc5ee08a75ffd…` ~~~~text 101: PHASE NISI_B31 % 2 1 1 ! 102: CONST NISI_B31 : NI : SI : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): NISI_B31, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 95: PHASE NISI_B31 % 2 1 1 ! 96: CONST NISI_B31 : NI : SI : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): NISI_B31, type code %, sha256 `5c51324a82a8ab23…` ~~~~text 99: PHASE NISI_B31 % 2 1 1 ! 100: CONST NISI_B31 : NI : SI : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): NISI_B31, type code %, sha256 `d88fb63b655b9623…` ~~~~text 108: PHASE NISI_B31 % 2 1 1 ! 109: CONST NISI_B31 : NI : SI : ! ~~~~ Example references (9 of 9; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase; reports values for this phase_ ## NISI2_C1 (Ni–Si) - Id: `phase:ni-si:nisi2-c1`; status `assigned` - Structure: CaF2 · C1 · cF12 · Fm-3m (225); type `st:c1-caf2-cf12`; tier A: standard phase name; confidence high - Stoichiometry: Ni 0.3333, Si 0.6667 - Stability: stable in 10 of 10 calculated diagram(s): 300–1271.84 K, x(Si) 0.66667–0.66667 - Literature: 17 values (17 accepted) from 2 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:nisi2-c1) Names (13): _corpus: _corpus:phase:ni-si:nisi2-c1 _paper: _paper:10.1007/s11661-999-0249-8:NiSi2, paper:10.1016/s0364-5916(03)00049-x:NiSi2 _tdb: _tdb:NiSi-01Tok.tdb:NISI2_C1, tdb:NiSi-03Tok.tdb:NISI2_C1, tdb:NiSi-04Tok.tdb:NISI2_C1, tdb:NiSi-05Mie.tdb:NISI2_C1, tdb:NiSi-12Yua-condensed.tdb:NISI2_C1, tdb:NiSi-12Yua.tdb:NISI2_C1, tdb:NiSi-19Tan.tdb:NISI2_C1, tdb:NiSi-23Wit.tdb:NISI2_C1, tdb:NiSi-96Lin-LB.tdb:NISI2_C1, tdb:NiSi-99Du.tdb:NISI2_C1 ### TDB models of NISI2_C1 (10): PHASE and CONSTITUENT statements as written [NiSi-01Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-01Tok.tdb): NISI2_C1, type code %, sha256 `9ab1c4ee638279e6…` ~~~~text 91: PHASE NISI2_C1 % 2 1 2 ! 92: CONST NISI2_C1 : NI : SI : ! ~~~~ [NiSi-03Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-03Tok.tdb): NISI2_C1, type code %, sha256 `ee5e3bdd5a592a96…` ~~~~text 97: PHASE NISI2_C1 % 2 1 2 ! 98: CONST NISI2_C1 : NI : SI : ! ~~~~ [NiSi-04Tok.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-04Tok.tdb): NISI2_C1, type code %, sha256 `fddb61bcca4568f7…` ~~~~text 91: PHASE NISI2_C1 % 2 1 2 ! 92: CONST NISI2_C1 : NI : SI : ! ~~~~ [NiSi-05Mie.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-05Mie.tdb): NISI2_C1, type code %, sha256 `9648c90351118a83…` ~~~~text 91: PHASE NISI2_C1 % 2 1 2 ! 92: CONST NISI2_C1 : NI : SI : ! ~~~~ [NiSi-12Yua-condensed.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua-condensed.tdb): NISI2_C1, type code %, sha256 `e633542474820818…` ~~~~text 100: PHASE NISI2_C1 % 2 1 2 ! 101: CONST NISI2_C1 : NI : SI : ! ~~~~ [NiSi-12Yua.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-12Yua.tdb): NISI2_C1, type code %, sha256 `8ae79a3ebc52338b…` ~~~~text 100: PHASE NISI2_C1 % 2 1 2 ! 101: CONST NISI2_C1 : NI : SI : ! ~~~~ [NiSi-19Tan.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-19Tan.tdb): NISI2_C1, type code %, sha256 `475fc5ee08a75ffd…` ~~~~text 106: PHASE NISI2_C1 % 2 1 2 ! 107: CONST NISI2_C1 : NI : SI : ! ~~~~ [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): NISI2_C1, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 100: PHASE NISI2_C1 % 2 1 2 ! 101: CONST NISI2_C1 : NI : SI : ! ~~~~ [NiSi-96Lin-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-96Lin-LB.tdb): NISI2_C1, type code %, sha256 `5c51324a82a8ab23…` ~~~~text 104: PHASE NISI2_C1 % 2 1 2 ! 105: CONST NISI2_C1 : NI : SI : ! ~~~~ [NiSi-99Du.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-99Du.tdb): NISI2_C1, type code %, sha256 `d88fb63b655b9623…` ~~~~text 113: PHASE NISI2_C1 % 2 1 2 ! 114: CONST NISI2_C1 : NI : SI : ! ~~~~ Example references (9 of 9; assessments first): - [doi:10.1007/s11661-999-0249-8](https://doi.org/10.1007/s11661-999-0249-8) Yong Du, Julius C. Schuster, Experimental investigations and thermodynamic descriptions of the Ni-Si and C-Ni-Si systems, Metall Mater Trans A 30, 2409-2418 (1999). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(03)00049-X](https://doi.org/10.1016/S0364-5916%2803%2900049-X) T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.calphad.2005.08.001](https://doi.org/10.1016/j.calphad.2005.08.001) Jyrki Miettinen, Thermodynamic description of the Cu–Ni–Si system in the copper-rich corner above 700 ∘C, Calphad 29, 212-221 (2005). _assessment that models this phase_ - [doi:10.1016/j.calphad.2019.04.007](https://doi.org/10.1016/j.calphad.2019.04.007) Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019). _assessment that models this phase_ - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ - [doi:10.1016/j.matchemphys.2012.04.028](https://doi.org/10.1016/j.matchemphys.2012.04.028) Xiaoming Yuan, Lijun Zhang, Yong Du, Wei Xiong, Ying Tang, Aijun Wang et al., A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems, Materials Chemistry and Physics 135, 94-105 (2012). _assessment that models this phase_ - [doi:10.1361/105497101770338798](https://doi.org/10.1361/105497101770338798) T. Tokunaga, K. Nishio, M. Hasebe, Thermodynamic study of phase equilibria in the Ni-Si-B system, JPE 22, 291-299 (2001). _assessment that models this phase_ - [doi:10.2320/matertrans.45.1507](https://doi.org/10.2320/matertrans.45.1507) Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). _assessment that models this phase_ - [doi:10.1007/bf02663838](https://doi.org/10.1007/bf02663838) Mikael Lindholm, Bo Sundman, A thermodynamic evaluation of the nickel-silicon system, Metall Mater Trans A 27, 2897-2903 (1996). _cited as the source of values for this phase_ ## NISI2_H (Ni–Si) - Id: `phase:ni-si:nisi2-h`; status `needs_review` - No structure assigned. Why: name_has_descriptive_tokens:H; no_structure_token; sgte_mmc2_row_incomplete - Candidate (dft_mp): Fm-3m (225) — on-hull MP Si2Ni at x(SI)=0.6667 - Candidate (dft_oqmd): Fm-3m (225) — on-hull OQMD Ni1 Si2 at x(SI)=0.6667 - Candidate (sgte_mmc2): (NiSi2-ht) — Hallstedt 2025 mmc2 row for NISI2_H: NiSi2 (high T) - Stoichiometry: Ni 0.3333, Si 0.6667 - Stability: stable in 1 of 1 calculated diagram(s): 1254.16–1265.93 K, x(Si) 0.66667–0.66667 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:ni-si:nisi2-h) Names (2): _corpus: _corpus:phase:ni-si:nisi2-h _tdb: _tdb:NiSi-23Wit.tdb:NISI2_H ### TDB models of NISI2_H (1): PHASE and CONSTITUENT statements as written [NiSi-23Wit.tdb](https://orchid-project.org/data/databases/sgte-binary/NiSi-23Wit.tdb): NISI2_H, type code %, sha256 `1e259769eaadd7a6…` ~~~~text 105: PHASE NISI2_H % 2 1 2 ! 106: CONST NISI2_H : NI : SI : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.1016/j.jallcom.2022.168118](https://doi.org/10.1016/j.jallcom.2022.168118) V.T. Witusiewicz, O. Stryzhyboroda, S. Vinke, K. Bobzin, U. Hecht, Experimental study and thermodynamic modelling of the ternary system Fe–Ni–Si with re-modelling of the constituent binary systems, Journal of Alloys and Compounds 935, 168118 (2023). _assessment that models this phase_ ## Please cite - R. Arróyave, J. Saal, D. Shin, ORCHID-Registry: phase registry of binary systems (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23735970 - R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23736065 Also cite B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, https://doi.org/10.1016/j.calphad.2025.102833 (CC BY 4.0), and the original assessment named in each file; A. Jain et al., The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002, https://doi.org/10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501, https://doi.org/10.1007/s11837-013-0755-4 and S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010, https://doi.org/10.1038/npjcompumats.2015.10 (CC BY 4.0); the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work). Version 1, machine-extracted: values were read by language-model readers constrained to quote their source and checked automatically, and the release was then audited on the printed pages by adversarial audits, an independent second review of fit-facing records and a preliminary human review of a frozen sample. Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes. ```bibtex @misc{orchid_phase_registry_2026, author = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon}, title = {{ORCHID-Registry: phase registry of binary systems}}, version = {2026.10}, publisher = {Zenodo}, year = {2026}, doi = {10.5281/zenodo.23735970}, url = {https://doi.org/10.5281/zenodo.23735970}, note = {Version 1, machine-extracted} } @misc{orchid_data_2026, author = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon}, title = {{ORCHID data: umbrella record of the ORCHID datasets}}, version = {2026.10}, publisher = {Zenodo}, year = {2026}, doi = {10.5281/zenodo.23736065}, url = {https://doi.org/10.5281/zenodo.23736065}, note = {Version 1, machine-extracted} } ``` --- Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite the ORCHID phase registry and the sources named on the page (TDB assessments, Hallstedt 2025, Materials Project, OQMD). TDB statements are quoted as written; parameter expressions are not reproduced. Field reference: [SCHEMA.md](https://data.orchid-project.org/phases/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt).