Ni–Si phases

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 · full JSON · Ni–Si system page · Markdown · field reference

Phases of the Ni–Si system (19)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
DIAMOND_A4 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	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		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	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	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	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	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	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	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		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		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	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	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		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	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	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	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	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		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

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: DIAMOND_A4, type code %, sha256 9ab1c4ee638279e6…

45: PHASE DIAMOND_A4 % 1 1 !
46: CONST DIAMOND_A4 : SI : !

NiSi-03Tok.tdb: DIAMOND_A4, type code %, sha256 ee5e3bdd5a592a96…

56: PHASE DIAMOND_A4 % 1 1 !
57: CONST DIAMOND_A4 : SI : !

NiSi-04Tok.tdb: DIAMOND_A4, type code %, sha256 fddb61bcca4568f7…

45: PHASE DIAMOND_A4 % 1 1 !
46: CONST DIAMOND_A4 : SI : !

NiSi-05Mie.tdb: DIAMOND_A4, type code %, sha256 9648c90351118a83…

45: PHASE DIAMOND_A4 % 1 1 !
46: CONST DIAMOND_A4 : SI : !

NiSi-12Yua-condensed.tdb: DIAMOND_A4, type code %, sha256 e633542474820818…

59: PHASE DIAMOND_A4 % 1 1 !
60: CONST DIAMOND_A4 : SI : !

NiSi-12Yua.tdb: DIAMOND_A4, type code %, sha256 8ae79a3ebc52338b…

59: PHASE DIAMOND_A4 % 1 1 !
60: CONST DIAMOND_A4 : SI : !

NiSi-19Tan.tdb: DIAMOND_A4, type code %, sha256 475fc5ee08a75ffd…

65: PHASE DIAMOND_A4 % 1 1 !
66: CONST DIAMOND_A4 : SI : !

NiSi-23Wit.tdb: DIAMOND_A4, type code %, sha256 1e259769eaadd7a6…

49: PHASE DIAMOND_A4 % 1 1 !
50: CONST DIAMOND_A4 : NI SI% : !

NiSi-96Lin-LB.tdb: DIAMOND_A4, type code %, sha256 5c51324a82a8ab23…

63: PHASE DIAMOND_A4 % 1 1 !
64: CONST DIAMOND_A4 : SI : !

NiSi-99Du.tdb: DIAMOND_A4, type code %, sha256 d88fb63b655b9623…

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 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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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 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 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

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: BCC_A2, type code %B, sha256 9ab1c4ee638279e6…

35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : NI SI : VA : !

NiSi-03Tok.tdb: BCC_A2, type code %B, sha256 ee5e3bdd5a592a96…

46: PHASE BCC_A2 %B 2 1 3 !
47: CONST BCC_A2 : NI SI : VA : !

NiSi-04Tok.tdb: BCC_A2, type code %B, sha256 fddb61bcca4568f7…

35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : NI SI : VA : !

NiSi-05Mie.tdb: BCC_A2, type code %B, sha256 9648c90351118a83…

35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : NI SI : VA : !

NiSi-12Yua-condensed.tdb: BCC_A2, type code %B, sha256 e633542474820818…

49: PHASE BCC_A2 %B 2 1 3 !
50: CONST BCC_A2 : NI SI : VA : !

NiSi-12Yua.tdb: BCC_A2, type code %B, sha256 8ae79a3ebc52338b…

49: PHASE BCC_A2 %B 2 1 3 !
50: CONST BCC_A2 : NI SI : VA : !

NiSi-19Tan.tdb: BCC_A2, type code %B, sha256 475fc5ee08a75ffd…

55: PHASE BCC_A2 %B 2 1 3 !
56: CONST BCC_A2 : NI SI : VA : !

NiSi-23Wit.tdb: BCC_A2, type code %B, sha256 1e259769eaadd7a6…

39: PHASE BCC_A2 %B 2 1 3 !
40: CONST BCC_A2 : NI SI : VA : !

NiSi-96Lin-LB.tdb: BCC_A2, type code %B, sha256 5c51324a82a8ab23…

53: PHASE BCC_A2 %B 2 1 3 !
54: CONST BCC_A2 : NI SI : VA : !

NiSi-99Du.tdb: BCC_A2, type code %B, sha256 d88fb63b655b9623…

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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003).
assessment that models this phase
doi: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 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

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: FCC_4SL, type code %AY, sha256 e633542474820818…

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: FCC_4SL, type code %AY, sha256 8ae79a3ebc52338b…

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 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 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 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

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: FCC_A1, type code %A, sha256 9ab1c4ee638279e6…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : NI% SI : VA : !

NiSi-03Tok.tdb: A1_FCC, type code %A, sha256 ee5e3bdd5a592a96…

36: PHASE A1_FCC %A 2 1 1 !
37: CONST A1_FCC : NI% SI : VA : !

NiSi-03Tok.tdb: FCC_A1, type code %A, sha256 ee5e3bdd5a592a96…

31: PHASE FCC_A1 %A 2 1 1 !
32: CONST FCC_A1 : NI% SI : VA : !

NiSi-04Tok.tdb: FCC_A1, type code %A, sha256 fddb61bcca4568f7…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : NI% SI : VA : !

NiSi-05Mie.tdb: FCC_A1, type code %A, sha256 9648c90351118a83…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : NI% SI : VA : !

NiSi-12Yua-condensed.tdb: A1_FCC, type code %A, sha256 e633542474820818…

39: PHASE A1_FCC %A 2 1 1 !
40: CONST A1_FCC : NI% SI : VA : !

NiSi-12Yua-condensed.tdb: FCC_A1, type code %A, sha256 e633542474820818…

34: PHASE FCC_A1 %A 2 1 1 !
35: CONST FCC_A1 : NI% SI : VA : !

NiSi-12Yua.tdb: A1_FCC, type code %A, sha256 8ae79a3ebc52338b…

39: PHASE A1_FCC %A 2 1 1 !
40: CONST A1_FCC : NI% SI : VA : !

NiSi-12Yua.tdb: FCC_A1, type code %A, sha256 8ae79a3ebc52338b…

34: PHASE FCC_A1 %A 2 1 1 !
35: CONST FCC_A1 : NI% SI : VA : !

NiSi-19Tan.tdb: A1_FCC, type code %A, sha256 475fc5ee08a75ffd…

45: PHASE A1_FCC %A 2 1 1 !
46: CONST A1_FCC : NI% SI : VA : !

NiSi-19Tan.tdb: FCC_A1, type code %A, sha256 475fc5ee08a75ffd…

40: PHASE FCC_A1 %A 2 1 1 !
41: CONST FCC_A1 : NI% SI : VA : !

NiSi-23Wit.tdb: FCC_A1, type code %A, sha256 1e259769eaadd7a6…

34: PHASE FCC_A1 %A 2 1 1 !
35: CONST FCC_A1 : NI% SI : VA : !

NiSi-96Lin-LB.tdb: A1_FCC, type code %A, sha256 5c51324a82a8ab23…

43: PHASE A1_FCC %A 2 1 1 !
44: CONST A1_FCC : NI% SI : VA : !

NiSi-96Lin-LB.tdb: FCC_A1, type code %A, sha256 5c51324a82a8ab23…

38: PHASE FCC_A1 %A 2 1 1 !
39: CONST FCC_A1 : NI% SI : VA : !

NiSi-99Du.tdb: A1_FCC, type code %A, sha256 d88fb63b655b9623…

47: PHASE A1_FCC %A 2 1 1 !
48: CONST A1_FCC : NI% SI : VA : !

NiSi-99Du.tdb: FCC_A1, type code %A, sha256 d88fb63b655b9623…

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 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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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 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 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 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

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: L12_FCC, type code %AY, sha256 ee5e3bdd5a592a96…

41: PHASE L12_FCC %AY 3 0.75 0.25 1 !
42: CONST L12_FCC : NI% SI : NI SI% : VA : !

NiSi-19Tan.tdb: L12_FCC, type code %AY, sha256 475fc5ee08a75ffd…

50: PHASE L12_FCC %AY 3 0.75 0.25 1 !
51: CONST L12_FCC : NI% SI : NI SI% : VA : !

NiSi-96Lin-LB.tdb: L12_FCC, type code %AY, sha256 5c51324a82a8ab23…

48: PHASE L12_FCC %AY 3 0.75 0.25 1 !
49: CONST L12_FCC : NI% SI : NI SI% : VA : !

NiSi-99Du.tdb: L12_FCC, type code %AY, sha256 d88fb63b655b9623…

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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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

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: HCP_A3, type code %A, sha256 9ab1c4ee638279e6…

40: PHASE HCP_A3 %A 2 1 0.5 !
41: CONST HCP_A3 : NI SI : VA : !

NiSi-03Tok.tdb: HCP_A3, type code %A, sha256 ee5e3bdd5a592a96…

51: PHASE HCP_A3 %A 2 1 0.5 !
52: CONST HCP_A3 : NI SI : VA : !

NiSi-04Tok.tdb: HCP_A3, type code %A, sha256 fddb61bcca4568f7…

40: PHASE HCP_A3 %A 2 1 0.5 !
41: CONST HCP_A3 : NI SI : VA : !

NiSi-05Mie.tdb: HCP_A3, type code %A, sha256 9648c90351118a83…

40: PHASE HCP_A3 %A 2 1 0.5 !
41: CONST HCP_A3 : NI SI : VA : !

NiSi-12Yua-condensed.tdb: HCP_A3, type code %A, sha256 e633542474820818…

54: PHASE HCP_A3 %A 2 1 0.5 !
55: CONST HCP_A3 : NI SI : VA : !

NiSi-12Yua.tdb: HCP_A3, type code %A, sha256 8ae79a3ebc52338b…

54: PHASE HCP_A3 %A 2 1 0.5 !
55: CONST HCP_A3 : NI SI : VA : !

NiSi-19Tan.tdb: HCP_A3, type code %A, sha256 475fc5ee08a75ffd…

60: PHASE HCP_A3 %A 2 1 0.5 !
61: CONST HCP_A3 : NI SI : VA : !

NiSi-23Wit.tdb: HCP_A3, type code %A, sha256 1e259769eaadd7a6…

44: PHASE HCP_A3 %A 2 1 0.5 !
45: CONST HCP_A3 : NI SI : VA : !

NiSi-96Lin-LB.tdb: HCP_A3, type code %A, sha256 5c51324a82a8ab23…

58: PHASE HCP_A3 %A 2 1 0.5 !
59: CONST HCP_A3 : NI SI : VA : !

NiSi-99Du.tdb: HCP_A3, type code %A, sha256 d88fb63b655b9623…

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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 T. Tokunaga, K. Nishio, H. Ohtani, M. Hasebe, Calphad, 27, 161-68(2003).
assessment that models this phase
doi: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 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

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: LIQUID, type code %, sha256 9ab1c4ee638279e6…

25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : NI SI : !

NiSi-03Tok.tdb: LIQUID, type code %, sha256 ee5e3bdd5a592a96…

26: PHASE LIQUID:L % 1 1 !
27: CONST LIQUID:L : NI SI : !

NiSi-04Tok.tdb: LIQUID, type code %, sha256 fddb61bcca4568f7…

25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : NI SI : !

NiSi-05Mie.tdb: LIQUID, type code %, sha256 9648c90351118a83…

25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : NI SI : !

NiSi-12Yua-condensed.tdb: LIQUID, type code %, sha256 e633542474820818…

29: PHASE LIQUID:L % 1 1 !
30: CONST LIQUID:L : NI SI : !

NiSi-12Yua.tdb: LIQUID, type code %, sha256 8ae79a3ebc52338b…

29: PHASE LIQUID:L % 1 1 !
30: CONST LIQUID:L : NI SI : !

NiSi-19Tan.tdb: LIQUID, type code %, sha256 475fc5ee08a75ffd…

35: PHASE LIQUID:L % 1 1 !
36: CONST LIQUID:L : NI SI : !

NiSi-23Wit.tdb: LIQUID, type code %, sha256 1e259769eaadd7a6…

29: PHASE LIQUID:L % 1 1 !
30: CONST LIQUID:L : NI SI : !

NiSi-96Lin-LB.tdb: LIQUID, type code %, sha256 5c51324a82a8ab23…

33: PHASE LIQUID:L % 1 1 !
34: CONST LIQUID:L : NI SI : !

NiSi-99Du.tdb: LIQUID, type code %, sha256 d88fb63b655b9623…

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 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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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 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 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 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

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: NI2SI_C37, type code %, sha256 9ab1c4ee638279e6…

70: PHASE NI2SI_C37 % 2 2 1 !
71: CONST NI2SI_C37 : NI : SI : !

NiSi-03Tok.tdb: NI2SI_C37, type code %, sha256 ee5e3bdd5a592a96…

76: PHASE NI2SI_C37 % 2 2 1 !
77: CONST NI2SI_C37 : NI : SI : !

NiSi-04Tok.tdb: NI2SI_C37, type code %, sha256 fddb61bcca4568f7…

70: PHASE NI2SI_C37 % 2 2 1 !
71: CONST NI2SI_C37 : NI : SI : !

NiSi-05Mie.tdb: NI2SI_C37, type code %, sha256 9648c90351118a83…

70: PHASE NI2SI_C37 % 2 2 1 !
71: CONST NI2SI_C37 : NI : SI : !

NiSi-12Yua-condensed.tdb: NI2SI_C37, type code %, sha256 e633542474820818…

79: PHASE NI2SI_C37 % 2 2 1 !
80: CONST NI2SI_C37 : NI : SI : !

NiSi-12Yua.tdb: NI2SI_C37, type code %, sha256 8ae79a3ebc52338b…

79: PHASE NI2SI_C37 % 2 2 1 !
80: CONST NI2SI_C37 : NI : SI : !

NiSi-19Tan.tdb: NI2SI_C37, type code %, sha256 475fc5ee08a75ffd…

85: PHASE NI2SI_C37 % 2 2 1 !
86: CONST NI2SI_C37 : NI : SI : !

NiSi-23Wit.tdb: NI2SI_C37, type code %, sha256 1e259769eaadd7a6…

74: PHASE NI2SI_C37 % 2 2 1 !
75: CONST NI2SI_C37 : NI : SI : !

NiSi-96Lin-LB.tdb: NI2SI_C37, type code %, sha256 5c51324a82a8ab23…

83: PHASE NI2SI_C37 % 2 2 1 !
84: CONST NI2SI_C37 : NI : SI : !

NiSi-99Du.tdb: NI2SI_C37, type code %, sha256 d88fb63b655b9623…

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 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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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 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 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 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
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

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: NI2SI_THETA, type code %, sha256 9ab1c4ee638279e6…

76: PHASE NI2SI_THETA % 3 1 1 1 !
77: CONST NI2SI_THETA : NI : NI% VA : SI : !

NiSi-03Tok.tdb: NI2SI_THETA, type code %, sha256 ee5e3bdd5a592a96…

82: PHASE NI2SI_THETA % 3 1 1 1 !
83: CONST NI2SI_THETA : NI : NI% VA : SI : !

NiSi-04Tok.tdb: NI2SI_THETA, type code %, sha256 fddb61bcca4568f7…

76: PHASE NI2SI_THETA % 3 1 1 1 !
77: CONST NI2SI_THETA : NI : NI% VA : SI : !

NiSi-05Mie.tdb: NI2SI_THETA, type code %, sha256 9648c90351118a83…

76: PHASE NI2SI_THETA % 3 1 1 1 !
77: CONST NI2SI_THETA : NI : NI% VA : SI : !

NiSi-12Yua-condensed.tdb: NI2SI_THETA, type code %, sha256 e633542474820818…

85: PHASE NI2SI_THETA % 3 1 1 1 !
86: CONST NI2SI_THETA : NI : NI% VA : SI : !

NiSi-12Yua.tdb: NI2SI_THETA, type code %, sha256 8ae79a3ebc52338b…

85: PHASE NI2SI_THETA % 3 1 1 1 !
86: CONST NI2SI_THETA : NI : NI% VA : SI : !

NiSi-19Tan.tdb: NI2SI_THETA, type code %, sha256 475fc5ee08a75ffd…

91: PHASE NI2SI_THETA % 3 1 1 1 !
92: CONST NI2SI_THETA : NI : NI% VA : SI : !

NiSi-23Wit.tdb: NI2SI_THETA, type code %, sha256 1e259769eaadd7a6…

80: PHASE NI2SI_THETA % 3 1 1 1 !
81: CONST NI2SI_THETA : NI : NI% VA : SI% VA : !

NiSi-96Lin-LB.tdb: NI2SI_THETA, type code %, sha256 5c51324a82a8ab23…

89: PHASE NI2SI_THETA % 3 1 1 1 !
90: CONST NI2SI_THETA : NI : NI% VA : SI : !

NiSi-99Du.tdb: NI2SI_THETA, type code %, sha256 d88fb63b655b9623…

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 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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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 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 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 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

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: NI3SI_H, type code %, sha256 9ab1c4ee638279e6…

60: PHASE NI3SI_H % 2 3 1 !
61: CONST NI3SI_H : NI : SI : !

NiSi-03Tok.tdb: NI3SI_H, type code %, sha256 ee5e3bdd5a592a96…

66: PHASE NI3SI_H % 2 3 1 !
67: CONST NI3SI_H : NI : SI : !

NiSi-04Tok.tdb: NI3SI_H, type code %, sha256 fddb61bcca4568f7…

60: PHASE NI3SI_H % 2 3 1 !
61: CONST NI3SI_H : NI : SI : !

NiSi-05Mie.tdb: NI3SI_H, type code %, sha256 9648c90351118a83…

60: PHASE NI3SI_H % 2 3 1 !
61: CONST NI3SI_H : NI : SI : !

NiSi-12Yua-condensed.tdb: NI3SI_H, type code %, sha256 e633542474820818…

69: PHASE NI3SI_H % 2 3 1 !
70: CONST NI3SI_H : NI : SI : !

NiSi-12Yua.tdb: NI3SI_H, type code %, sha256 8ae79a3ebc52338b…

69: PHASE NI3SI_H % 2 3 1 !
70: CONST NI3SI_H : NI : SI : !

NiSi-19Tan.tdb: NI3SI_H, type code %, sha256 475fc5ee08a75ffd…

75: PHASE NI3SI_H % 2 3 1 !
76: CONST NI3SI_H : NI : SI : !

NiSi-23Wit.tdb: NI3SI_H, type code %, sha256 1e259769eaadd7a6…

64: PHASE NI3SI_H % 2 3 1 !
65: CONST NI3SI_H : NI : NI SI% : !

NiSi-96Lin-LB.tdb: NI3SI_H, type code %, sha256 5c51324a82a8ab23…

73: PHASE NI3SI_H % 2 3 1 !
74: CONST NI3SI_H : NI : SI : !

NiSi-99Du.tdb: NI3SI_H, type code %, sha256 d88fb63b655b9623…

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 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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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 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 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 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

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: NI3SI_L12, type code %, sha256 9ab1c4ee638279e6…

50: PHASE NI3SI_L12 % 2 0.763 0.237 !
51: CONST NI3SI_L12 : NI : SI : !

NiSi-04Tok.tdb: NI3SI_L12, type code %A, sha256 fddb61bcca4568f7…

50: PHASE NI3SI_L12 %A 2 0.75 0.25 !
51: CONST NI3SI_L12 : NI% SI : NI SI% : !

NiSi-05Mie.tdb: NI3SI_L12, type code %, sha256 9648c90351118a83…

50: PHASE NI3SI_L12 % 2 0.76 0.24 !
51: CONST NI3SI_L12 : NI : SI : !

NiSi-23Wit.tdb: NI3SI_L12, type code %, sha256 1e259769eaadd7a6…

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 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 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 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 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 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 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 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
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

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: NI3SI_M, type code %, sha256 9ab1c4ee638279e6…

55: PHASE NI3SI_M % 2 3 1 !
56: CONST NI3SI_M : NI : SI : !

NiSi-03Tok.tdb: NI3SI_M, type code %, sha256 ee5e3bdd5a592a96…

61: PHASE NI3SI_M % 2 3 1 !
62: CONST NI3SI_M : NI : SI : !

NiSi-04Tok.tdb: NI3SI_M, type code %, sha256 fddb61bcca4568f7…

55: PHASE NI3SI_M % 2 3 1 !
56: CONST NI3SI_M : NI : SI : !

NiSi-05Mie.tdb: NI3SI_M, type code %, sha256 9648c90351118a83…

55: PHASE NI3SI_M % 2 3 1 !
56: CONST NI3SI_M : NI : SI : !

NiSi-12Yua-condensed.tdb: NI3SI_M, type code %, sha256 e633542474820818…

64: PHASE NI3SI_M % 2 3 1 !
65: CONST NI3SI_M : NI : SI : !

NiSi-12Yua.tdb: NI3SI_M, type code %, sha256 8ae79a3ebc52338b…

64: PHASE NI3SI_M % 2 3 1 !
65: CONST NI3SI_M : NI : SI : !

NiSi-19Tan.tdb: NI3SI_M, type code %, sha256 475fc5ee08a75ffd…

70: PHASE NI3SI_M % 2 3 1 !
71: CONST NI3SI_M : NI : SI : !

NiSi-23Wit.tdb: NI3SI_M, type code %, sha256 1e259769eaadd7a6…

59: PHASE NI3SI_M % 2 3 1 !
60: CONST NI3SI_M : NI : NI SI% : !

NiSi-96Lin-LB.tdb: NI3SI_M, type code %, sha256 5c51324a82a8ab23…

68: PHASE NI3SI_M % 2 3 1 !
69: CONST NI3SI_M : NI : SI : !

NiSi-99Du.tdb: NI3SI_M, type code %, sha256 d88fb63b655b9623…

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 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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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 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 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 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
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

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: NI3SI2, type code %, sha256 9ab1c4ee638279e6…

81: PHASE NI3SI2 % 2 3 2 !
82: CONST NI3SI2 : NI : SI : !

NiSi-03Tok.tdb: NI3SI2, type code %, sha256 ee5e3bdd5a592a96…

87: PHASE NI3SI2 % 2 3 2 !
88: CONST NI3SI2 : NI : SI : !

NiSi-04Tok.tdb: NI3SI2, type code %, sha256 fddb61bcca4568f7…

81: PHASE NI3SI2 % 2 3 2 !
82: CONST NI3SI2 : NI : SI : !

NiSi-05Mie.tdb: NI3SI2, type code %, sha256 9648c90351118a83…

81: PHASE NI3SI2 % 2 3 2 !
82: CONST NI3SI2 : NI : SI : !

NiSi-12Yua-condensed.tdb: NI3SI2, type code %, sha256 e633542474820818…

90: PHASE NI3SI2 % 2 3 2 !
91: CONST NI3SI2 : NI : SI : !

NiSi-12Yua.tdb: NI3SI2, type code %, sha256 8ae79a3ebc52338b…

90: PHASE NI3SI2 % 2 3 2 !
91: CONST NI3SI2 : NI : SI : !

NiSi-19Tan.tdb: NI3SI2, type code %, sha256 475fc5ee08a75ffd…

96: PHASE NI3SI2 % 2 3 2 !
97: CONST NI3SI2 : NI : SI : !

NiSi-96Lin-LB.tdb: NI3SI2, type code %, sha256 5c51324a82a8ab23…

94: PHASE NI3SI2 % 2 3 2 !
95: CONST NI3SI2 : NI : SI : !

NiSi-99Du.tdb: NI3SI2, type code %, sha256 d88fb63b655b9623…

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 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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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 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

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: NI3SI2_H, type code %, sha256 1e259769eaadd7a6…

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 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
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

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: NI3SI2_L, type code %, sha256 1e259769eaadd7a6…

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 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
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

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: NI5SI2, type code %, sha256 9ab1c4ee638279e6…

65: PHASE NI5SI2 % 2 5 2 !
66: CONST NI5SI2 : NI : SI : !

NiSi-03Tok.tdb: NI5SI2, type code %, sha256 ee5e3bdd5a592a96…

71: PHASE NI5SI2 % 2 5 2 !
72: CONST NI5SI2 : NI : SI : !

NiSi-04Tok.tdb: NI5SI2, type code %, sha256 fddb61bcca4568f7…

65: PHASE NI5SI2 % 2 5 2 !
66: CONST NI5SI2 : NI : SI : !

NiSi-05Mie.tdb: NI5SI2, type code %, sha256 9648c90351118a83…

65: PHASE NI5SI2 % 2 5 2 !
66: CONST NI5SI2 : NI : SI : !

NiSi-12Yua-condensed.tdb: NI5SI2, type code %, sha256 e633542474820818…

74: PHASE NI5SI2 % 2 5 2 !
75: CONST NI5SI2 : NI : SI : !

NiSi-12Yua.tdb: NI5SI2, type code %, sha256 8ae79a3ebc52338b…

74: PHASE NI5SI2 % 2 5 2 !
75: CONST NI5SI2 : NI : SI : !

NiSi-19Tan.tdb: NI5SI2, type code %, sha256 475fc5ee08a75ffd…

80: PHASE NI5SI2 % 2 5 2 !
81: CONST NI5SI2 : NI : SI : !

NiSi-23Wit.tdb: NI5SI2, type code %, sha256 1e259769eaadd7a6…

69: PHASE NI5SI2 % 2 5 2 !
70: CONST NI5SI2 : NI : SI% VA : !

NiSi-96Lin-LB.tdb: NI5SI2, type code %, sha256 5c51324a82a8ab23…

78: PHASE NI5SI2 % 2 5 2 !
79: CONST NI5SI2 : NI : SI : !

NiSi-99Du.tdb: NI5SI2, type code %, sha256 d88fb63b655b9623…

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 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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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 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 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 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

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: NISI_B31, type code %, sha256 9ab1c4ee638279e6…

86: PHASE NISI_B31 % 2 1 1 !
87: CONST NISI_B31 : NI : SI : !

NiSi-03Tok.tdb: NISI_B31, type code %, sha256 ee5e3bdd5a592a96…

92: PHASE NISI_B31 % 2 1 1 !
93: CONST NISI_B31 : NI : SI : !

NiSi-04Tok.tdb: NISI_B31, type code %, sha256 fddb61bcca4568f7…

86: PHASE NISI_B31 % 2 1 1 !
87: CONST NISI_B31 : NI : SI : !

NiSi-05Mie.tdb: NISI_B31, type code %, sha256 9648c90351118a83…

86: PHASE NISI_B31 % 2 1 1 !
87: CONST NISI_B31 : NI : SI : !

NiSi-12Yua-condensed.tdb: NISI_B31, type code %, sha256 e633542474820818…

95: PHASE NISI_B31 % 2 1 1 !
96: CONST NISI_B31 : NI : SI : !

NiSi-12Yua.tdb: NISI_B31, type code %, sha256 8ae79a3ebc52338b…

95: PHASE NISI_B31 % 2 1 1 !
96: CONST NISI_B31 : NI : SI : !

NiSi-19Tan.tdb: NISI_B31, type code %, sha256 475fc5ee08a75ffd…

101: PHASE NISI_B31 % 2 1 1 !
102: CONST NISI_B31 : NI : SI : !

NiSi-23Wit.tdb: NISI_B31, type code %, sha256 1e259769eaadd7a6…

95: PHASE NISI_B31 % 2 1 1 !
96: CONST NISI_B31 : NI : SI : !

NiSi-96Lin-LB.tdb: NISI_B31, type code %, sha256 5c51324a82a8ab23…

99: PHASE NISI_B31 % 2 1 1 !
100: CONST NISI_B31 : NI : SI : !

NiSi-99Du.tdb: NISI_B31, type code %, sha256 d88fb63b655b9623…

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 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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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 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 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

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: NISI2_C1, type code %, sha256 9ab1c4ee638279e6…

91: PHASE NISI2_C1 % 2 1 2 !
92: CONST NISI2_C1 : NI : SI : !

NiSi-03Tok.tdb: NISI2_C1, type code %, sha256 ee5e3bdd5a592a96…

97: PHASE NISI2_C1 % 2 1 2 !
98: CONST NISI2_C1 : NI : SI : !

NiSi-04Tok.tdb: NISI2_C1, type code %, sha256 fddb61bcca4568f7…

91: PHASE NISI2_C1 % 2 1 2 !
92: CONST NISI2_C1 : NI : SI : !

NiSi-05Mie.tdb: NISI2_C1, type code %, sha256 9648c90351118a83…

91: PHASE NISI2_C1 % 2 1 2 !
92: CONST NISI2_C1 : NI : SI : !

NiSi-12Yua-condensed.tdb: NISI2_C1, type code %, sha256 e633542474820818…

100: PHASE NISI2_C1 % 2 1 2 !
101: CONST NISI2_C1 : NI : SI : !

NiSi-12Yua.tdb: NISI2_C1, type code %, sha256 8ae79a3ebc52338b…

100: PHASE NISI2_C1 % 2 1 2 !
101: CONST NISI2_C1 : NI : SI : !

NiSi-19Tan.tdb: NISI2_C1, type code %, sha256 475fc5ee08a75ffd…

106: PHASE NISI2_C1 % 2 1 2 !
107: CONST NISI2_C1 : NI : SI : !

NiSi-23Wit.tdb: NISI2_C1, type code %, sha256 1e259769eaadd7a6…

100: PHASE NISI2_C1 % 2 1 2 !
101: CONST NISI2_C1 : NI : SI : !

NiSi-96Lin-LB.tdb: NISI2_C1, type code %, sha256 5c51324a82a8ab23…

104: PHASE NISI2_C1 % 2 1 2 !
105: CONST NISI2_C1 : NI : SI : !

NiSi-99Du.tdb: NISI2_C1, type code %, sha256 d88fb63b655b9623…

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 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 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 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 Y. Tang, J. Wang, L. Zhang, Calphad, 66, 101622(2019).
assessment that models this phase
doi: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 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 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 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 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

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: NISI2_H, type code %, sha256 1e259769eaadd7a6…

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 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). doi: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). doi: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.

@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}
}