Si–Ti phases

10 phases (tier A 6, tier B 1, tier C 1, liquid 1, needs_review 1); 9 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 · Si–Ti system page · Markdown · field reference

Phases of the Si–Ti system (10)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
DIAMOND_A4 phase:si-ti:a4-diamond	C (diamond) · A4 · cF8 · Fd-3m (227)	tier A: standard phase name	stable in 6 of 6 calculated diagram(s): 300–1688.27 K, x(Ti) 0–0	0	6
BCC_A2 phase:si-ti:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 6 of 6 calculated diagram(s): 1122.24–2499.84 K, x(Ti) 0.94928–1	0	6
FCC_A1 phase:si-ti:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 6 calculated diagram(s)	0	6
HCP_A3 phase:si-ti:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 6 of 6 calculated diagram(s): 300–1939.99 K, x(Ti) 0.99028–1	0	6
LIQUID phase:si-ti:liquid	liquid	liquid	stable in 6 of 6 calculated diagram(s): 1601.81–2500 K, x(Ti) 0–1	7	6
SI2TI_C54 phase:si-ti:si2ti-c54		needs_review	stable in 6 of 6 calculated diagram(s): 300–1772.3 K, x(Ti) 0.33333–0.33333	0	6
SI3TI5_D88 phase:si-ti:si3ti5-d88	Mn5Si3 · D8_8 · hP16 · P6_3/mcm (193)	tier A: standard phase name	stable in 6 of 6 calculated diagram(s): 300–2403.17 K, x(Ti) 0.60127–0.64398	0	6
SI4TI5 phase:si-ti:si4ti5	Si4Zr5 · tP36 · P4_12_12 (92)	tier B: DFT-supported (unique MP + OQMD match)	stable in 6 of 6 calculated diagram(s): 300–2198.2 K, x(Ti) 0.55556–0.55556	2	6
SITI_B27 phase:si-ti:siti-b27	FeB · B27 · oP8 · Pnma (62)	tier A: standard phase name	stable in 6 of 6 calculated diagram(s): 300–1844.9 K, x(Ti) 0.5–0.5	0	6
SITI3 phase:si-ti:siti3	Ti3P · tP32 · P4_2/n (86)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 6 of 6 calculated diagram(s): 300–1610 K, x(Ti) 0.75–0.75	2	6

DIAMOND_A4 (Si–Ti)

Id: phase:si-ti: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
Stoichiometry: Si 1.0000
Stability: stable in 6 of 6 calculated diagram(s): 300–1688.27 K, x(Ti) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:si-ti:a4-diamond
tdb: tdb:SiTi-04Tok.tdb:DIAMOND_A4, tdb:SiTi-16Li.tdb:DIAMOND_A4, tdb:SiTi-89Vah.tdb:DIAMOND_A4, tdb:SiTi-96Sei-LB.tdb:DIAMOND_A4, tdb:SiTi-96Sei-alt.tdb:DIAMOND_A4, tdb:SiTi-98Sei.tdb:DIAMOND_A4

TDB models of DIAMOND_A4 (6): PHASE and CONSTITUENT statements as written

SiTi-04Tok.tdb: DIAMOND_A4, type code %, sha256 914a8080a08e0d08…

42: PHASE DIAMOND_A4 % 1 1 !
43: CONST DIAMOND_A4 : SI : !

SiTi-16Li.tdb: DIAMOND_A4, type code %, sha256 249f99828de0d9f7…

48: PHASE DIAMOND_A4 % 1 1 !
49: CONST DIAMOND_A4 : SI : !

SiTi-89Vah.tdb: DIAMOND_A4, type code %, sha256 340b3dde954d928f…

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

SiTi-96Sei-LB.tdb: DIAMOND_A4, type code %, sha256 04320d8e6f0d87cc…

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

SiTi-96Sei-alt.tdb: DIAMOND_A4, type code %, sha256 173d79550eb4e8d4…

42: PHASE DIAMOND_A4 % 1 1 !
43: CONST DIAMOND_A4 : SI : !

SiTi-98Sei.tdb: DIAMOND_A4, type code %, sha256 da63bd3cc5dd4072…

40: PHASE DIAMOND_A4 % 1 1 !
41: CONST DIAMOND_A4 : SI : !

Example references (4 of 4; assessments first):

doi:10.1016/0364-5916(89)90007-2 C. Vahlas, P.Y. Chevalier, E. Blanquet, A thermodynamic evaluation of four Si-M (M = Mo, Ta, Ti, W) binary systems, Calphad 13, 273-292 (1989).
assessment that models this phase
doi:10.1016/j.matdes.2016.03.144 Y. Li, Q.F. Gu, Q. Luo, Y. Pang, S.L. Chen, K.C. Chou, X.L. Wang, Q. Li, Mater. Design, 102, 78-90(2016).
assessment that models this phase
doi:10.1515/ijmr-1996-870102 H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996).
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

BCC_A2 (Si–Ti)

Id: phase:si-ti:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stability: stable in 6 of 6 calculated diagram(s): 1122.24–2499.84 K, x(Ti) 0.94928–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:si-ti:bcc-a2
tdb: tdb:SiTi-04Tok.tdb:BCC_A2, tdb:SiTi-16Li.tdb:BCC_A2, tdb:SiTi-89Vah.tdb:BCC_A2, tdb:SiTi-96Sei-LB.tdb:BCC_A2, tdb:SiTi-96Sei-alt.tdb:BCC_A2, tdb:SiTi-98Sei.tdb:BCC_A2

TDB models of BCC_A2 (6): PHASE and CONSTITUENT statements as written

SiTi-04Tok.tdb: BCC_A2, type code %B, sha256 914a8080a08e0d08…

32: PHASE BCC_A2 %B 2 1 3 !
33: CONST BCC_A2 : SI TI% : VA : !

SiTi-16Li.tdb: BCC_A2, type code %B, sha256 249f99828de0d9f7…

38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : SI TI% : VA : !

SiTi-89Vah.tdb: BCC_A2, type code %B, sha256 340b3dde954d928f…

36: PHASE BCC_A2 %B 2 1 3 !
37: CONST BCC_A2 : SI TI% : VA : !

SiTi-96Sei-LB.tdb: BCC_A2, type code %B, sha256 04320d8e6f0d87cc…

34: PHASE BCC_A2 %B 2 1 3 !
35: CONST BCC_A2 : SI TI% : VA : !

SiTi-96Sei-alt.tdb: BCC_A2, type code %B, sha256 173d79550eb4e8d4…

32: PHASE BCC_A2 %B 2 1 3 !
33: CONST BCC_A2 : SI TI% : VA : !

SiTi-98Sei.tdb: BCC_A2, type code %B, sha256 da63bd3cc5dd4072…

30: PHASE BCC_A2 %B 2 1 3 !
31: CONST BCC_A2 : SI TI% : VA : !

Example references (4 of 4; assessments first):

doi:10.1016/0364-5916(89)90007-2 C. Vahlas, P.Y. Chevalier, E. Blanquet, A thermodynamic evaluation of four Si-M (M = Mo, Ta, Ti, W) binary systems, Calphad 13, 273-292 (1989).
assessment that models this phase
doi:10.1016/j.matdes.2016.03.144 Y. Li, Q.F. Gu, Q. Luo, Y. Pang, S.L. Chen, K.C. Chou, X.L. Wang, Q. Li, Mater. Design, 102, 78-90(2016).
assessment that models this phase
doi:10.1515/ijmr-1996-870102 H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996).
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_A1 (Si–Ti)

Id: phase:si-ti:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stability: not stable in 6 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:si-ti:fcc-a1
tdb: tdb:SiTi-04Tok.tdb:FCC_A1, tdb:SiTi-16Li.tdb:FCC_A1, tdb:SiTi-89Vah.tdb:FCC_A1, tdb:SiTi-96Sei-LB.tdb:FCC_A1, tdb:SiTi-96Sei-alt.tdb:FCC_A1, tdb:SiTi-98Sei.tdb:FCC_A1

TDB models of FCC_A1 (6): PHASE and CONSTITUENT statements as written

SiTi-04Tok.tdb: FCC_A1, type code %A, sha256 914a8080a08e0d08…

27: PHASE FCC_A1 %A 2 1 1 !
28: CONST FCC_A1 : SI TI : VA : !

SiTi-16Li.tdb: FCC_A1, type code %A, sha256 249f99828de0d9f7…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : SI TI : VA : !

SiTi-89Vah.tdb: FCC_A1, type code %A, sha256 340b3dde954d928f…

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

SiTi-96Sei-LB.tdb: FCC_A1, type code %A, sha256 04320d8e6f0d87cc…

29: PHASE FCC_A1 %A 2 1 1 !
30: CONST FCC_A1 : SI TI : VA : !

SiTi-96Sei-alt.tdb: FCC_A1, type code %A, sha256 173d79550eb4e8d4…

27: PHASE FCC_A1 %A 2 1 1 !
28: CONST FCC_A1 : SI TI : VA : !

SiTi-98Sei.tdb: FCC_A1, type code %A, sha256 da63bd3cc5dd4072…

25: PHASE FCC_A1 %A 2 1 1 !
26: CONST FCC_A1 : SI TI : VA : !

Example references (4 of 4; assessments first):

doi:10.1016/0364-5916(89)90007-2 C. Vahlas, P.Y. Chevalier, E. Blanquet, A thermodynamic evaluation of four Si-M (M = Mo, Ta, Ti, W) binary systems, Calphad 13, 273-292 (1989).
assessment that models this phase
doi:10.1016/j.matdes.2016.03.144 Y. Li, Q.F. Gu, Q. Luo, Y. Pang, S.L. Chen, K.C. Chou, X.L. Wang, Q. Li, Mater. Design, 102, 78-90(2016).
assessment that models this phase
doi:10.1515/ijmr-1996-870102 H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996).
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

HCP_A3 (Si–Ti)

Id: phase:si-ti: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: stable in 6 of 6 calculated diagram(s): 300–1939.99 K, x(Ti) 0.99028–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:si-ti:hcp-a3
tdb: tdb:SiTi-04Tok.tdb:HCP_A3, tdb:SiTi-16Li.tdb:HCP_A3, tdb:SiTi-89Vah.tdb:HCP_A3, tdb:SiTi-96Sei-LB.tdb:HCP_A3, tdb:SiTi-96Sei-alt.tdb:HCP_A3, tdb:SiTi-98Sei.tdb:HCP_A3

TDB models of HCP_A3 (6): PHASE and CONSTITUENT statements as written

SiTi-04Tok.tdb: HCP_A3, type code %A, sha256 914a8080a08e0d08…

37: PHASE HCP_A3 %A 2 1 0.5 !
38: CONST HCP_A3 : SI TI% : VA : !

SiTi-16Li.tdb: HCP_A3, type code %A, sha256 249f99828de0d9f7…

43: PHASE HCP_A3 %A 2 1 0.5 !
44: CONST HCP_A3 : SI TI% : VA : !

SiTi-89Vah.tdb: HCP_A3, type code %A, sha256 340b3dde954d928f…

41: PHASE HCP_A3 %A 2 1 0.5 !
42: CONST HCP_A3 : SI TI% : VA : !

SiTi-96Sei-LB.tdb: HCP_A3, type code %A, sha256 04320d8e6f0d87cc…

39: PHASE HCP_A3 %A 2 1 0.5 !
40: CONST HCP_A3 : SI TI% : VA : !

SiTi-96Sei-alt.tdb: HCP_A3, type code %A, sha256 173d79550eb4e8d4…

37: PHASE HCP_A3 %A 2 1 0.5 !
38: CONST HCP_A3 : SI TI% : VA : !

SiTi-98Sei.tdb: HCP_A3, type code %A, sha256 da63bd3cc5dd4072…

35: PHASE HCP_A3 %A 2 1 0.5 !
36: CONST HCP_A3 : SI TI% : VA : !

Example references (4 of 4; assessments first):

doi:10.1016/0364-5916(89)90007-2 C. Vahlas, P.Y. Chevalier, E. Blanquet, A thermodynamic evaluation of four Si-M (M = Mo, Ta, Ti, W) binary systems, Calphad 13, 273-292 (1989).
assessment that models this phase
doi:10.1016/j.matdes.2016.03.144 Y. Li, Q.F. Gu, Q. Luo, Y. Pang, S.L. Chen, K.C. Chou, X.L. Wang, Q. Li, Mater. Design, 102, 78-90(2016).
assessment that models this phase
doi:10.1515/ijmr-1996-870102 H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996).
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 (Si–Ti)

Id: phase:si-ti:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 6 of 6 calculated diagram(s): 1601.81–2500 K, x(Ti) 0–1
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:si-ti:liquid
paper: paper:sha256-85fd53a1a176b694:Liquid
tdb: tdb:SiTi-04Tok.tdb:LIQUID, tdb:SiTi-16Li.tdb:LIQUID, tdb:SiTi-89Vah.tdb:LIQUID, tdb:SiTi-96Sei-LB.tdb:LIQUID, tdb:SiTi-96Sei-alt.tdb:LIQUID, tdb:SiTi-98Sei.tdb:LIQUID

TDB models of LIQUID (6): PHASE and CONSTITUENT statements as written

SiTi-04Tok.tdb: LIQUID, type code %, sha256 914a8080a08e0d08…

22: PHASE LIQUID:L % 1 1 !
23: CONST LIQUID:L : SI TI : !

SiTi-16Li.tdb: LIQUID, type code %, sha256 249f99828de0d9f7…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : SI TI : !

SiTi-89Vah.tdb: LIQUID, type code %, sha256 340b3dde954d928f…

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

SiTi-96Sei-LB.tdb: LIQUID, type code %, sha256 04320d8e6f0d87cc…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : SI TI : !

SiTi-96Sei-alt.tdb: LIQUID, type code %, sha256 173d79550eb4e8d4…

22: PHASE LIQUID:L % 1 1 !
23: CONST LIQUID:L : SI TI : !

SiTi-98Sei.tdb: LIQUID, type code %, sha256 da63bd3cc5dd4072…

20: PHASE LIQUID:L % 1 1 !
21: CONST LIQUID:L : SI TI : !

Example references (4 of 4; assessments first):

doi:10.1016/0364-5916(89)90007-2 C. Vahlas, P.Y. Chevalier, E. Blanquet, A thermodynamic evaluation of four Si-M (M = Mo, Ta, Ti, W) binary systems, Calphad 13, 273-292 (1989).
assessment that models this phase
doi:10.1016/j.matdes.2016.03.144 Y. Li, Q.F. Gu, Q. Luo, Y. Pang, S.L. Chen, K.C. Chou, X.L. Wang, Q. Li, Mater. Design, 102, 78-90(2016).
assessment that models this phase
doi:10.1515/ijmr-1996-870102 H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996).
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

SI2TI_C54 (Si–Ti)

Id: phase:si-ti:si2ti-c54; status needs_review
No structure assigned. Why: assessment_declared_blocked_by:name_suggests_C54_but_dft_space_group_63; name_suggests_C54_but_dft_space_group_63
Candidate (dft_mp): Cmcm (63) — on-hull MP TiSi2 at x(TI)=0.3333
Candidate (dft_oqmd): Cmcm (63) — on-hull OQMD Si2 Ti1 at x(TI)=0.3333
Candidate (name_token): TiSi2 · C54 · oF24 · Fddd (70) — Strukturbericht/word 'C54' in the TDB name
Candidate (sgte_mmc2): TiSi2 · C54 · oF24 · Fddd (70) — Hallstedt 2025 mmc2 row for SI2TI_C54: Si2Ti
Candidate (tdb_comment): Si2Ti · oF24 · Fddd — SiTi-04Tok.tdb: 'Prototype Si2Ti (oF24, Fddd)'
Candidate (tdb_comment): Si2Ti · oF24 · Fddd — SiTi-16Li.tdb: 'Prototype Si2Ti (oF24, Fddd)'
Candidate (tdb_comment): Si2Ti · oF24 · Fddd — SiTi-89Vah.tdb: 'Prototype Si2Ti (oF24, Fddd)'
Candidate (tdb_comment): Si2Ti · oF24 · Fddd — SiTi-96Sei-LB.tdb: 'Prototype Si2Ti (oF24, Fddd)'
Stoichiometry: Si 0.6667, Ti 0.3333
Stability: stable in 6 of 6 calculated diagram(s): 300–1772.3 K, x(Ti) 0.33333–0.33333
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:si-ti:si2ti-c54
tdb: tdb:SiTi-04Tok.tdb:SI2TI_C54, tdb:SiTi-16Li.tdb:SI2TI_C54, tdb:SiTi-89Vah.tdb:SI2TI_C54, tdb:SiTi-96Sei-LB.tdb:SI2TI_C54, tdb:SiTi-96Sei-alt.tdb:SI2TI_C54, tdb:SiTi-98Sei.tdb:SI2TI_C54

TDB models of SI2TI_C54 (6): PHASE and CONSTITUENT statements as written

SiTi-04Tok.tdb: SI2TI_C54, type code %, sha256 914a8080a08e0d08…

47: PHASE SI2TI_C54 % 2 2 1 !
48: CONST SI2TI_C54 : SI : TI : !

SiTi-16Li.tdb: SI2TI_C54, type code %, sha256 249f99828de0d9f7…

53: PHASE SI2TI_C54 % 2 2 1 !
54: CONST SI2TI_C54 : SI : TI : !

SiTi-89Vah.tdb: SI2TI_C54, type code %, sha256 340b3dde954d928f…

51: PHASE SI2TI_C54 % 2 2 1 !
52: CONST SI2TI_C54 : SI : TI : !

SiTi-96Sei-LB.tdb: SI2TI_C54, type code %, sha256 04320d8e6f0d87cc…

49: PHASE SI2TI_C54 % 2 2 1 !
50: CONST SI2TI_C54 : SI : TI : !

SiTi-96Sei-alt.tdb: SI2TI_C54, type code %, sha256 173d79550eb4e8d4…

47: PHASE SI2TI_C54 % 2 2 1 !
48: CONST SI2TI_C54 : SI : TI : !

SiTi-98Sei.tdb: SI2TI_C54, type code %, sha256 da63bd3cc5dd4072…

45: PHASE SI2TI_C54 % 2 2 1 !
46: CONST SI2TI_C54 : SI : TI : !

Example references (4 of 4; assessments first):

doi:10.1016/0364-5916(89)90007-2 C. Vahlas, P.Y. Chevalier, E. Blanquet, A thermodynamic evaluation of four Si-M (M = Mo, Ta, Ti, W) binary systems, Calphad 13, 273-292 (1989).
assessment that models this phase
doi:10.1016/j.matdes.2016.03.144 Y. Li, Q.F. Gu, Q. Luo, Y. Pang, S.L. Chen, K.C. Chou, X.L. Wang, Q. Li, Mater. Design, 102, 78-90(2016).
assessment that models this phase
doi:10.1515/ijmr-1996-870102 H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996).
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

SI3TI5_D88 (Si–Ti)

Id: phase:si-ti:si3ti5-d88; status assigned
Structure: Mn5Si3 · D8_8 · hP16 · P6_3/mcm (193); type st:d8-8-mn5si3-hp16; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in SiTi-04Tok.tdb also describes the disordered state
Caveat: partitioned order/disorder model in SiTi-96Sei-LB.tdb also describes the disordered state
Caveat: partitioned order/disorder model in SiTi-98Sei.tdb also describes the disordered state
Stability: stable in 6 of 6 calculated diagram(s): 300–2403.17 K, x(Ti) 0.60127–0.64398
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:si-ti:si3ti5-d88
tdb: tdb:SiTi-04Tok.tdb:SI3TI5_D88, tdb:SiTi-16Li.tdb:SI3TI5_D88, tdb:SiTi-89Vah.tdb:SI3TI5_D88, tdb:SiTi-96Sei-LB.tdb:SI3TI5_D88, tdb:SiTi-96Sei-alt.tdb:SI3TI5_D88, tdb:SiTi-98Sei.tdb:SI3TI5_D88

TDB models of SI3TI5_D88 (6): PHASE and CONSTITUENT statements as written

SiTi-04Tok.tdb: SI3TI5_D88, type code %, sha256 914a8080a08e0d08…

62: PHASE SI3TI5_D88 %  3 2 3 3 !
63: CONST SI3TI5_D88 : SI TI : SI TI : TI : !

SiTi-16Li.tdb: SI3TI5_D88, type code %, sha256 249f99828de0d9f7…

68: PHASE SI3TI5_D88 %  2 3 5 !
69: CONST SI3TI5_D88 : SI : TI : !

SiTi-89Vah.tdb: SI3TI5_D88, type code %, sha256 340b3dde954d928f…

66: PHASE SI3TI5_D88 %  2 3 5 !
67: CONST SI3TI5_D88 : SI : TI : !

SiTi-96Sei-LB.tdb: SI3TI5_D88, type code %, sha256 04320d8e6f0d87cc…

64: PHASE SI3TI5_D88 %  3 2 3 3 !
65: CONST SI3TI5_D88 : SI TI : SI TI : TI : !

SiTi-96Sei-alt.tdb: SI3TI5_D88, type code %, sha256 173d79550eb4e8d4…

62: PHASE SI3TI5_D88 %  2 3 5 !
63: CONST SI3TI5_D88 : SI : TI : !

SiTi-98Sei.tdb: SI3TI5_D88, type code %, sha256 da63bd3cc5dd4072…

60: PHASE SI3TI5_D88 %  3 2 3 3 !
61: CONST SI3TI5_D88 : SI TI : SI TI : TI : !

Example references (4 of 4; assessments first):

doi:10.1016/0364-5916(89)90007-2 C. Vahlas, P.Y. Chevalier, E. Blanquet, A thermodynamic evaluation of four Si-M (M = Mo, Ta, Ti, W) binary systems, Calphad 13, 273-292 (1989).
assessment that models this phase
doi:10.1016/j.matdes.2016.03.144 Y. Li, Q.F. Gu, Q. Luo, Y. Pang, S.L. Chen, K.C. Chou, X.L. Wang, Q. Li, Mater. Design, 102, 78-90(2016).
assessment that models this phase
doi:10.1515/ijmr-1996-870102 H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996).
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

SI4TI5 (Si–Ti)

Id: phase:si-ti:si4ti5; status assigned
Structure: Si4Zr5 · tP36 · P4_12_12 (92); type st:si4zr5-tp36; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Si 0.4444, Ti 0.5556
Stability: stable in 6 of 6 calculated diagram(s): 300–2198.2 K, x(Ti) 0.55556–0.55556
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (10): corpus: corpus:phase:si-ti:si4ti5
mp: mp:mp-aaabctvj
oqmd: oqmd:oqmd-7987
paper: paper:sha256-85fd53a1a176b694:Si4Ti5
tdb: tdb:SiTi-04Tok.tdb:SI4TI5, tdb:SiTi-16Li.tdb:SI4TI5, tdb:SiTi-89Vah.tdb:SI4TI5, tdb:SiTi-96Sei-LB.tdb:SI4TI5, tdb:SiTi-96Sei-alt.tdb:SI4TI5, tdb:SiTi-98Sei.tdb:SI4TI5

TDB models of SI4TI5 (6): PHASE and CONSTITUENT statements as written

SiTi-04Tok.tdb: SI4TI5, type code %, sha256 914a8080a08e0d08…

57: PHASE SI4TI5 %  2 4 5 !
58: CONST SI4TI5 : SI : TI : !

SiTi-16Li.tdb: SI4TI5, type code %, sha256 249f99828de0d9f7…

63: PHASE SI4TI5 %  2 4 5 !
64: CONST SI4TI5 : SI : TI : !

SiTi-89Vah.tdb: SI4TI5, type code %, sha256 340b3dde954d928f…

61: PHASE SI4TI5 %  2 4 5 !
62: CONST SI4TI5 : SI : TI : !

SiTi-96Sei-LB.tdb: SI4TI5, type code %, sha256 04320d8e6f0d87cc…

59: PHASE SI4TI5 %  2 4 5 !
60: CONST SI4TI5 : SI : TI : !

SiTi-96Sei-alt.tdb: SI4TI5, type code %, sha256 173d79550eb4e8d4…

57: PHASE SI4TI5 %  2 4 5 !
58: CONST SI4TI5 : SI : TI : !

SiTi-98Sei.tdb: SI4TI5, type code %, sha256 da63bd3cc5dd4072…

55: PHASE SI4TI5 %  2 4 5 !
56: CONST SI4TI5 : SI : TI : !

Example references (4 of 4; assessments first):

doi:10.1016/0364-5916(89)90007-2 C. Vahlas, P.Y. Chevalier, E. Blanquet, A thermodynamic evaluation of four Si-M (M = Mo, Ta, Ti, W) binary systems, Calphad 13, 273-292 (1989).
assessment that models this phase
doi:10.1016/j.matdes.2016.03.144 Y. Li, Q.F. Gu, Q. Luo, Y. Pang, S.L. Chen, K.C. Chou, X.L. Wang, Q. Li, Mater. Design, 102, 78-90(2016).
assessment that models this phase
doi:10.1515/ijmr-1996-870102 H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996).
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

SITI_B27 (Si–Ti)

Id: phase:si-ti:siti-b27; status assigned
Structure: FeB · B27 · oP8 · Pnma (62); type st:b27-feb-op8; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaakmu and oqmd-8102, space group 62
Stoichiometry: Si 0.5000, Ti 0.5000
Stability: stable in 6 of 6 calculated diagram(s): 300–1844.9 K, x(Ti) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (9): corpus: corpus:phase:si-ti:siti-b27
mp: mp:mp-aaaaakmu
oqmd: oqmd:oqmd-8102
tdb: tdb:SiTi-04Tok.tdb:SITI_B27, tdb:SiTi-16Li.tdb:SITI_B27, tdb:SiTi-89Vah.tdb:SITI_B27, tdb:SiTi-96Sei-LB.tdb:SITI_B27, tdb:SiTi-96Sei-alt.tdb:SITI_B27, tdb:SiTi-98Sei.tdb:SITI_B27

TDB models of SITI_B27 (6): PHASE and CONSTITUENT statements as written

SiTi-04Tok.tdb: SITI_B27, type code %, sha256 914a8080a08e0d08…

52: PHASE SITI_B27 %  2 1 1 !
53: CONST SITI_B27 : SI : TI : !

SiTi-16Li.tdb: SITI_B27, type code %, sha256 249f99828de0d9f7…

58: PHASE SITI_B27 %  2 1 1 !
59: CONST SITI_B27 : SI : TI : !

SiTi-89Vah.tdb: SITI_B27, type code %, sha256 340b3dde954d928f…

56: PHASE SITI_B27 %  2 1 1 !
57: CONST SITI_B27 : SI : TI : !

SiTi-96Sei-LB.tdb: SITI_B27, type code %, sha256 04320d8e6f0d87cc…

54: PHASE SITI_B27 %  2 1 1 !
55: CONST SITI_B27 : SI : TI : !

SiTi-96Sei-alt.tdb: SITI_B27, type code %, sha256 173d79550eb4e8d4…

52: PHASE SITI_B27 %  2 1 1 !
53: CONST SITI_B27 : SI : TI : !

SiTi-98Sei.tdb: SITI_B27, type code %, sha256 da63bd3cc5dd4072…

50: PHASE SITI_B27 %  2 1 1 !
51: CONST SITI_B27 : SI : TI : !

Example references (4 of 4; assessments first):

doi:10.1016/0364-5916(89)90007-2 C. Vahlas, P.Y. Chevalier, E. Blanquet, A thermodynamic evaluation of four Si-M (M = Mo, Ta, Ti, W) binary systems, Calphad 13, 273-292 (1989).
assessment that models this phase
doi:10.1016/j.matdes.2016.03.144 Y. Li, Q.F. Gu, Q. Luo, Y. Pang, S.L. Chen, K.C. Chou, X.L. Wang, Q. Li, Mater. Design, 102, 78-90(2016).
assessment that models this phase
doi:10.1515/ijmr-1996-870102 H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996).
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

SITI3 (Si–Ti)

Id: phase:si-ti:siti3; status assigned
Structure: Ti3P · tP32 · P4_2/n (86); type st:ti3p-tp32; 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_mp, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Si 0.2500, Ti 0.7500
Stability: stable in 6 of 6 calculated diagram(s): 300–1610 K, x(Ti) 0.75–0.75
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:si-ti:siti3
paper: paper:sha256-85fd53a1a176b694:SiTi3
tdb: tdb:SiTi-04Tok.tdb:SITI3, tdb:SiTi-16Li.tdb:SITI3, tdb:SiTi-89Vah.tdb:SITI3, tdb:SiTi-96Sei-LB.tdb:SITI3, tdb:SiTi-96Sei-alt.tdb:SITI3, tdb:SiTi-98Sei.tdb:SITI3

TDB models of SITI3 (6): PHASE and CONSTITUENT statements as written

SiTi-04Tok.tdb: SITI3, type code %, sha256 914a8080a08e0d08…

67: PHASE SITI3 %  2 1 3 !
68: CONST SITI3 : SI : TI : !

SiTi-16Li.tdb: SITI3, type code %, sha256 249f99828de0d9f7…

73: PHASE SITI3 %  2 1 3 !
74: CONST SITI3 : SI : TI : !

SiTi-89Vah.tdb: SITI3, type code %, sha256 340b3dde954d928f…

71: PHASE SITI3 %  2 1 3 !
72: CONST SITI3 : SI : TI : !

SiTi-96Sei-LB.tdb: SITI3, type code %, sha256 04320d8e6f0d87cc…

69: PHASE SITI3 %  2 1 3 !
70: CONST SITI3 : SI : TI : !

SiTi-96Sei-alt.tdb: SITI3, type code %, sha256 173d79550eb4e8d4…

67: PHASE SITI3 %  2 1 3 !
68: CONST SITI3 : SI : TI : !

SiTi-98Sei.tdb: SITI3, type code %, sha256 da63bd3cc5dd4072…

65: PHASE SITI3 %  2 1 3 !
66: CONST SITI3 : SI : TI : !

Example references (4 of 4; assessments first):

doi:10.1016/0364-5916(89)90007-2 C. Vahlas, P.Y. Chevalier, E. Blanquet, A thermodynamic evaluation of four Si-M (M = Mo, Ta, Ti, W) binary systems, Calphad 13, 273-292 (1989).
assessment that models this phase
doi:10.1016/j.matdes.2016.03.144 Y. Li, Q.F. Gu, Q. Luo, Y. Pang, S.L. Chen, K.C. Chou, X.L. Wang, Q. Li, Mater. Design, 102, 78-90(2016).
assessment that models this phase
doi:10.1515/ijmr-1996-870102 H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996).
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

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}
}