Si–Te phases

11 phases (tier A 6, liquid 1, gas 1, needs_review 3); 8 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–Te system page · Markdown · field reference

Phases of the Si–Te system (11)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
DIAMOND_A4 phase:si-te:a4-diamond	C (diamond) · A4 · cF8 · Fd-3m (227)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1687 K, x(Te) 0–0	0	2
HEXAGONAL_A8 phase:si-te:a8-hexagonal	gamma-Se · A8 · hP3 · P3_121 (152)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–722.66 K, x(Te) 1–1	0	2
BCC_A2 phase:si-te:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
FCC_A1 phase:si-te:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
GAS phase:si-te:gas	gas	gas	stable in 1 of 1 calculated diagram(s): 1267.25–2500 K, x(Te) 0.99577–1	0	1
HCP_A3 phase:si-te:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
LIQUID phase:si-te:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 673.75–2500 K, x(Te) 0–1	0	2
SI2TE3_HT phase:si-te:si2te3-ht		needs_review	stable in 2 of 2 calculated diagram(s): 674–1165.1 K, x(Te) 0.6–0.6	0	2
SI2TE3_LT phase:si-te:si2te3-lt		needs_review	stable in 2 of 2 calculated diagram(s): 300–713.91 K, x(Te) 0.6–0.6	5	2
SITE2_HT phase:si-te:site2		needs_review	stable in 1 of 1 calculated diagram(s): 663.64–707.55 K, x(Te) 0.66667–0.66667	0	1
SITE2_C6 phase:si-te:site2-c6	CdI2 · C6 · hP3 · P-3m1 (164)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–663.64 K, x(Te) 0.66667–0.66667	0	1

DIAMOND_A4 (Si–Te)

Id: phase:si-te: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 2 of 2 calculated diagram(s): 300–1687 K, x(Te) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:si-te:a4-diamond
tdb: tdb:SiTe-20Yua.tdb:DIAMOND_A4, tdb:SiTe-99Feu-LB.tdb:DIAMOND_A4

TDB models of DIAMOND_A4 (2): PHASE and CONSTITUENT statements as written

SiTe-20Yua.tdb: DIAMOND_A4, type code %, sha256 788eb4e0fb22d784…

54: PHASE DIAMOND_A4 % 1 1 !
55: CONST DIAMOND_A4 : SI : !

SiTe-99Feu-LB.tdb: DIAMOND_A4, type code %, sha256 0d62124cd250a55a…

29: PHASE DIAMOND_A4 % 1 1 !
30: CONST DIAMOND_A4 : SI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2020.101743 H. Yuan, J. Wang, B. Hu, R. Zhao, Y. Du, S.-Y. Zhang, Calphad, 68, 101743(2020).
assessment that models this phase
doi:10.1016/S0364-5916(00)00007-9 Y. Feutelais, A. Schlieper, S.G. Fries, Calphad, 23, 365-78(1999).
assessment that models this phase

HEXAGONAL_A8 (Si–Te)

Id: phase:si-te:a8-hexagonal; status assigned
Structure: gamma-Se · A8 · hP3 · P3_121 (152); type st:a8-gamma-se-hp3; tier A: standard phase name; confidence high
Stoichiometry: Te 1.0000
Stability: stable in 2 of 2 calculated diagram(s): 300–722.66 K, x(Te) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:si-te:a8-hexagonal
tdb: tdb:SiTe-20Yua.tdb:HEXAGONAL_A8, tdb:SiTe-99Feu-LB.tdb:HEXAGONAL_A8

TDB models of HEXAGONAL_A8 (2): PHASE and CONSTITUENT statements as written

SiTe-20Yua.tdb: HEXAGONAL_A8, type code %, sha256 788eb4e0fb22d784…

61: PHASE HEXAGONAL_A8 % 1 1 !
62: CONST HEXAGONAL_A8 : TE : !

SiTe-99Feu-LB.tdb: HEXAGONAL_A8, type code %, sha256 0d62124cd250a55a…

34: PHASE HEXAGONAL_A8 % 1 1 !
35: CONST HEXAGONAL_A8 : TE : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2020.101743 H. Yuan, J. Wang, B. Hu, R. Zhao, Y. Du, S.-Y. Zhang, Calphad, 68, 101743(2020).
assessment that models this phase
doi:10.1016/S0364-5916(00)00007-9 Y. Feutelais, A. Schlieper, S.G. Fries, Calphad, 23, 365-78(1999).
assessment that models this phase

BCC_A2 (Si–Te)

Id: phase:si-te:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stoichiometry: Si 1.0000
Stability: not stable in 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:si-te:bcc-a2
tdb: tdb:SiTe-20Yua.tdb:BCC_A2

TDB models of BCC_A2 (1): PHASE and CONSTITUENT statements as written

SiTe-20Yua.tdb: BCC_A2, type code %B, sha256 788eb4e0fb22d784…

44: PHASE BCC_A2 %B 2 1 3 !
45: CONST BCC_A2 : SI : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2020.101743 H. Yuan, J. Wang, B. Hu, R. Zhao, Y. Du, S.-Y. Zhang, Calphad, 68, 101743(2020).
assessment that models this phase

FCC_A1 (Si–Te)

Id: phase:si-te:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stoichiometry: Si 1.0000
Stability: not stable in 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:si-te:fcc-a1
tdb: tdb:SiTe-20Yua.tdb:FCC_A1

TDB models of FCC_A1 (1): PHASE and CONSTITUENT statements as written

SiTe-20Yua.tdb: FCC_A1, type code %A, sha256 788eb4e0fb22d784…

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

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2020.101743 H. Yuan, J. Wang, B. Hu, R. Zhao, Y. Du, S.-Y. Zhang, Calphad, 68, 101743(2020).
assessment that models this phase

GAS (Si–Te)

Id: phase:si-te:gas; status assigned
Structure: gas; type st:gas; gas; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1267.25–2500 K, x(Te) 0.99577–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:si-te:gas
tdb: tdb:SiTe-20Yua.tdb:GAS

TDB models of GAS (1): PHASE and CONSTITUENT statements as written

SiTe-20Yua.tdb: GAS, type code %, sha256 788eb4e0fb22d784…

84: PHASE GAS:G % 1 1 !
85: CONST GAS:G : SI SI2 SI3 TE TE2 TE3 TE4 TE5 TE6 TE7 : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2020.101743 H. Yuan, J. Wang, B. Hu, R. Zhao, Y. Du, S.-Y. Zhang, Calphad, 68, 101743(2020).
assessment that models this phase

HCP_A3 (Si–Te)

Id: phase:si-te:hcp-a3; status assigned
Structure: Mg · A3 · hP2 · P6_3/mmc (194); type st:a3-mg-hp2; tier A: standard phase name; confidence high
Stoichiometry: Si 1.0000
Stability: not stable in 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:si-te:hcp-a3
tdb: tdb:SiTe-20Yua.tdb:HCP_A3

TDB models of HCP_A3 (1): PHASE and CONSTITUENT statements as written

SiTe-20Yua.tdb: HCP_A3, type code %A, sha256 788eb4e0fb22d784…

49: PHASE HCP_A3 %A 2 1 0.5 !
50: CONST HCP_A3 : SI : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2020.101743 H. Yuan, J. Wang, B. Hu, R. Zhao, Y. Du, S.-Y. Zhang, Calphad, 68, 101743(2020).
assessment that models this phase

LIQUID (Si–Te)

Id: phase:si-te:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 673.75–2500 K, x(Te) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:si-te:liquid
tdb: tdb:SiTe-20Yua.tdb:LIQUID, tdb:SiTe-99Feu-LB.tdb:LIQUID

TDB models of LIQUID (2): PHASE and CONSTITUENT statements as written

SiTe-20Yua.tdb: LIQUID, type code %, sha256 788eb4e0fb22d784…

34: PHASE LIQUID:L % 1 1 !
35: CONST LIQUID:L : SI SI2TE3 TE : !

SiTe-99Feu-LB.tdb: LIQUID, type code %, sha256 0d62124cd250a55a…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : SI SI2TE3 TE : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2020.101743 H. Yuan, J. Wang, B. Hu, R. Zhao, Y. Du, S.-Y. Zhang, Calphad, 68, 101743(2020).
assessment that models this phase
doi:10.1016/S0364-5916(00)00007-9 Y. Feutelais, A. Schlieper, S.G. Fries, Calphad, 23, 365-78(1999).
assessment that models this phase

SI2TE3_HT (Si–Te)

Id: phase:si-te:si2te3-ht; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition
Candidate (sgte_mmc2): (Si2Te3) — Hallstedt 2025 mmc2 row for SI2TE3_HT: Si2Te3-beta
Stoichiometry: Si 0.4000, Te 0.6000
Stability: stable in 2 of 2 calculated diagram(s): 674–1165.1 K, x(Te) 0.6–0.6
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:si-te:si2te3-ht
tdb: tdb:SiTe-20Yua.tdb:SI2TE3_HT, tdb:SiTe-99Feu-LB.tdb:SI2TE3_HT

TDB models of SI2TE3_HT (2): PHASE and CONSTITUENT statements as written

SiTe-20Yua.tdb: SI2TE3_HT, type code %, sha256 788eb4e0fb22d784…

71: PHASE SI2TE3_HT % 2 2 3 !
72: CONST SI2TE3_HT : SI : TE : !

SiTe-99Feu-LB.tdb: SI2TE3_HT, type code %, sha256 0d62124cd250a55a…

44: PHASE SI2TE3_HT % 2 2 3 !
45: CONST SI2TE3_HT : SI : TE : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2020.101743 H. Yuan, J. Wang, B. Hu, R. Zhao, Y. Du, S.-Y. Zhang, Calphad, 68, 101743(2020).
assessment that models this phase
doi:10.1016/S0364-5916(00)00007-9 Y. Feutelais, A. Schlieper, S.G. Fries, Calphad, 23, 365-78(1999).
assessment that models this phase

SI2TE3_LT (Si–Te)

Id: phase:si-te:si2te3-lt; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition
Candidate (sgte_mmc2): Si2Te3-alpha · hP40 · P-31c (163) — Hallstedt 2025 mmc2 row for SI2TE3_LT: Si2Te3-alpha
Candidate (tdb_comment): Si2Te3 · hP40 · P-31c, 163 — SiTe-20Yua.tdb: 'Prototype Si2Te3 (hP40, P-31c, 163)'
Candidate (tdb_comment): alpha-Si2Te3 · hP40 · P-31c — SiTe-99Feu-LB.tdb: 'Prototype alpha-Si2Te3 (hP40, P-31c)'
Stoichiometry: Si 0.4000, Te 0.6000
Stability: stable in 2 of 2 calculated diagram(s): 300–713.91 K, x(Te) 0.6–0.6
Literature: 5 values (5 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:si-te:si2te3-lt
paper: paper:10.1016/s0364-5916(00)00007-9:α-Si2Te3
tdb: tdb:SiTe-20Yua.tdb:SI2TE3_LT, tdb:SiTe-99Feu-LB.tdb:SI2TE3_LT

TDB models of SI2TE3_LT (2): PHASE and CONSTITUENT statements as written

SiTe-20Yua.tdb: SI2TE3_LT, type code %, sha256 788eb4e0fb22d784…

66: PHASE SI2TE3_LT % 2 2 3 !
67: CONST SI2TE3_LT : SI : TE : !

SiTe-99Feu-LB.tdb: SI2TE3_LT, type code %, sha256 0d62124cd250a55a…

39: PHASE SI2TE3_LT % 2 2 3 !
40: CONST SI2TE3_LT : SI : TE : !

Example references (2 of 2; assessments first):

doi:10.1016/S0364-5916(00)00007-9 Y. Feutelais, A. Schlieper, S.G. Fries, Calphad, 23, 365-78(1999).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2020.101743 H. Yuan, J. Wang, B. Hu, R. Zhao, Y. Du, S.-Y. Zhang, Calphad, 68, 101743(2020).
assessment that models this phase

SITE2_HT (Si–Te)

Id: phase:si-te:site2; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition
Candidate (dft_mp): P-3m1 (164) — on-hull MP SiTe2 at x(TE)=0.6667
Candidate (dft_oqmd): I-42d (122) — on-hull OQMD Si1 Te2 at x(TE)=0.6667
Candidate (sgte_mmc2): (SiTe2-beta) — Hallstedt 2025 mmc2 row for SITE2_HT: SiTe2-beta
Stoichiometry: Si 0.3333, Te 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 663.64–707.55 K, x(Te) 0.66667–0.66667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:si-te:site2
tdb: tdb:SiTe-20Yua.tdb:SITE2_HT

TDB models of SITE2_HT (1): PHASE and CONSTITUENT statements as written

SiTe-20Yua.tdb: SITE2_HT, type code %, sha256 788eb4e0fb22d784…

81: PHASE SITE2_HT % 2 1 2 !
82: CONST SITE2_HT : SI : TE : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2020.101743 H. Yuan, J. Wang, B. Hu, R. Zhao, Y. Du, S.-Y. Zhang, Calphad, 68, 101743(2020).
assessment that models this phase

SITE2_C6 (Si–Te)

Id: phase:si-te:site2-c6; status assigned
Structure: CdI2 · C6 · hP3 · P-3m1 (164); type st:c6-cdi2-hp3; tier A: standard phase name; confidence high
Stoichiometry: Si 0.3333, Te 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–663.64 K, x(Te) 0.66667–0.66667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:si-te:site2-c6
tdb: tdb:SiTe-20Yua.tdb:SITE2_C6

TDB models of SITE2_C6 (1): PHASE and CONSTITUENT statements as written

SiTe-20Yua.tdb: SITE2_C6, type code %, sha256 788eb4e0fb22d784…

76: PHASE SITE2_C6 % 2 1 2 !
77: CONST SITE2_C6 : SI : TE : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2020.101743 H. Yuan, J. Wang, B. Hu, R. Zhao, Y. Du, S.-Y. Zhang, Calphad, 68, 101743(2020).
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}
}