Sb–Se phases

8 phases (tier A 6, liquid 2); 5 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 · Sb–Se system page · Markdown · field reference

Phases of the Sb–Se system (8)
Phase	Structure	Basis	Stability (calculated)	TDB models
RHOMBOHEDRAL_A7 phase:sb-se:a7-rhombohedral	alpha-As · A7 · hR2 · R-3m (166)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 300–903.78 K, x(Se) 0–0	3
HEXAGONAL_A8 phase:sb-se:a8-hexagonal	gamma-Se · A8 · hP3 · P3_121 (152)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 300–494 K, x(Se) 1–1	3
BCC_A2 phase:sb-se:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	not stable in 3 calculated diagram(s)	3
FCC_A1 phase:sb-se:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 3 calculated diagram(s)	3
HCP_A3 phase:sb-se:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 3 calculated diagram(s)	3
ION phase:sb-se:ion	liquid	liquid	stable in 1 of 1 calculated diagram(s): 486.45–2500 K, x(Se) 0–1	1
LIQUID phase:sb-se:liquid	liquid	liquid	stable in 3 of 3 calculated diagram(s): 493.18–2500 K, x(Se) 0–1	3
SB2SE3_D58 phase:sb-se:sb2se3-d58	Sb2S3 · D5_8 · oP20 · Pnma (62)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 300–893.15 K, x(Se) 0.6–0.6	3

RHOMBOHEDRAL_A7 (Sb–Se)

Id: phase:sb-se:a7-rhombohedral; status assigned
Structure: alpha-As · A7 · hR2 · R-3m (166); type st:a7-alpha-as-hr2; tier A: standard phase name; confidence high
Stoichiometry: Sb 1.0000
Stability: stable in 3 of 3 calculated diagram(s): 300–903.78 K, x(Se) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:sb-se:a7-rhombohedral
tdb: tdb:SbSe-21Gie.tdb:RHOMBOHEDRAL_A7, tdb:SbSe-23Liu.tdb:RHOMBOHEDRAL_A7, tdb:SbSe-89Gho.tdb:RHOMBOHEDRAL_A7

TDB models of RHOMBOHEDRAL_A7 (3): PHASE and CONSTITUENT statements as written

SbSe-21Gie.tdb: RHOMBOHEDRAL_A7, type code %, sha256 9ada23085074f680…

52: PHASE RHOMBOHEDRAL_A7 % 1 1 !
53: CONST RHOMBOHEDRAL_A7 : SB : !

SbSe-23Liu.tdb: RHOMBOHEDRAL_A7, type code %, sha256 482b80658bf0ab4a…

53: PHASE RHOMBOHEDRAL_A7 % 1 1 !
54: CONST RHOMBOHEDRAL_A7 : SB : !

SbSe-89Gho.tdb: RHOMBOHEDRAL_A7, type code %, sha256 3d9847ebb3a99376…

56: PHASE RHOMBOHEDRAL_A7 % 1 1 !
57: CONST RHOMBOHEDRAL_A7 : SB : !

Example references (3 of 3; assessments first):

doi:10.1007/s11669-023-01074-8 Runlin Liu, Jiong Wang, Dongyu Cui, Thermodynamic Modeling of the Cu-Sb-Se System, J. Phase Equilib. Diffus. 44, 687-703 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2021.102257 W. Gierlotka, I. Lin, S. Chen, W. Gasior, A. Debski, Calphad, 73, 102257(2021).
assessment that models this phase
doi:10.1515/ijmr-1989-800911 G. Ghosh, H.L. Lukas, L. Delaey, Z. Metallkd., 80, 663-68(1989).
assessment that models this phase

HEXAGONAL_A8 (Sb–Se)

Id: phase:sb-se: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: Se 1.0000
Stability: stable in 3 of 3 calculated diagram(s): 300–494 K, x(Se) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:sb-se:a8-hexagonal
tdb: tdb:SbSe-21Gie.tdb:HEXAGONAL_A8, tdb:SbSe-23Liu.tdb:HEXAGONAL_A8, tdb:SbSe-89Gho.tdb:HEXAGONAL_A8

TDB models of HEXAGONAL_A8 (3): PHASE and CONSTITUENT statements as written

SbSe-21Gie.tdb: HEXAGONAL_A8, type code %, sha256 9ada23085074f680…

57: PHASE HEXAGONAL_A8 % 1 1 !
58: CONST HEXAGONAL_A8 : SE : !

SbSe-23Liu.tdb: HEXAGONAL_A8, type code %, sha256 482b80658bf0ab4a…

58: PHASE HEXAGONAL_A8 % 1 1 !
59: CONST HEXAGONAL_A8 : SE : !

SbSe-89Gho.tdb: HEXAGONAL_A8, type code %, sha256 3d9847ebb3a99376…

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

Example references (3 of 3; assessments first):

doi:10.1007/s11669-023-01074-8 Runlin Liu, Jiong Wang, Dongyu Cui, Thermodynamic Modeling of the Cu-Sb-Se System, J. Phase Equilib. Diffus. 44, 687-703 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2021.102257 W. Gierlotka, I. Lin, S. Chen, W. Gasior, A. Debski, Calphad, 73, 102257(2021).
assessment that models this phase
doi:10.1515/ijmr-1989-800911 G. Ghosh, H.L. Lukas, L. Delaey, Z. Metallkd., 80, 663-68(1989).
assessment that models this phase

BCC_A2 (Sb–Se)

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

Names (4): corpus: corpus:phase:sb-se:bcc-a2
tdb: tdb:SbSe-21Gie.tdb:BCC_A2, tdb:SbSe-23Liu.tdb:BCC_A2, tdb:SbSe-89Gho.tdb:BCC_A2

TDB models of BCC_A2 (3): PHASE and CONSTITUENT statements as written

SbSe-21Gie.tdb: BCC_A2, type code %B, sha256 9ada23085074f680…

42: PHASE BCC_A2 %B 2 1 3 !
43: CONST BCC_A2 : SB : VA : !

SbSe-23Liu.tdb: BCC_A2, type code %B, sha256 482b80658bf0ab4a…

43: PHASE BCC_A2 %B 2 1 3 !
44: CONST BCC_A2 : SB : VA : !

SbSe-89Gho.tdb: BCC_A2, type code %B, sha256 3d9847ebb3a99376…

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

Example references (3 of 3; assessments first):

doi:10.1007/s11669-023-01074-8 Runlin Liu, Jiong Wang, Dongyu Cui, Thermodynamic Modeling of the Cu-Sb-Se System, J. Phase Equilib. Diffus. 44, 687-703 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2021.102257 W. Gierlotka, I. Lin, S. Chen, W. Gasior, A. Debski, Calphad, 73, 102257(2021).
assessment that models this phase
doi:10.1515/ijmr-1989-800911 G. Ghosh, H.L. Lukas, L. Delaey, Z. Metallkd., 80, 663-68(1989).
assessment that models this phase

FCC_A1 (Sb–Se)

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

Names (4): corpus: corpus:phase:sb-se:fcc-a1
tdb: tdb:SbSe-21Gie.tdb:FCC_A1, tdb:SbSe-23Liu.tdb:FCC_A1, tdb:SbSe-89Gho.tdb:FCC_A1

TDB models of FCC_A1 (3): PHASE and CONSTITUENT statements as written

SbSe-21Gie.tdb: FCC_A1, type code %A, sha256 9ada23085074f680…

37: PHASE FCC_A1 %A 2 1 1 !
38: CONST FCC_A1 : SB : VA : !

SbSe-23Liu.tdb: FCC_A1, type code %A, sha256 482b80658bf0ab4a…

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

SbSe-89Gho.tdb: FCC_A1, type code %A, sha256 3d9847ebb3a99376…

41: PHASE FCC_A1 %A 2 1 1 !
42: CONST FCC_A1 : SB : VA : !

Example references (3 of 3; assessments first):

doi:10.1007/s11669-023-01074-8 Runlin Liu, Jiong Wang, Dongyu Cui, Thermodynamic Modeling of the Cu-Sb-Se System, J. Phase Equilib. Diffus. 44, 687-703 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2021.102257 W. Gierlotka, I. Lin, S. Chen, W. Gasior, A. Debski, Calphad, 73, 102257(2021).
assessment that models this phase
doi:10.1515/ijmr-1989-800911 G. Ghosh, H.L. Lukas, L. Delaey, Z. Metallkd., 80, 663-68(1989).
assessment that models this phase

HCP_A3 (Sb–Se)

Id: phase:sb-se: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: Sb 1.0000
Stability: not stable in 3 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:sb-se:hcp-a3
tdb: tdb:SbSe-21Gie.tdb:HCP_A3, tdb:SbSe-23Liu.tdb:HCP_A3, tdb:SbSe-89Gho.tdb:HCP_A3

TDB models of HCP_A3 (3): PHASE and CONSTITUENT statements as written

SbSe-21Gie.tdb: HCP_A3, type code %A, sha256 9ada23085074f680…

47: PHASE HCP_A3 %A 2 1 0.5 !
48: CONST HCP_A3 : SB : VA: !

SbSe-23Liu.tdb: HCP_A3, type code %A, sha256 482b80658bf0ab4a…

48: PHASE HCP_A3 %A 2 1 0.5 !
49: CONST HCP_A3 : SB : VA: !

SbSe-89Gho.tdb: HCP_A3, type code %A, sha256 3d9847ebb3a99376…

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

Example references (3 of 3; assessments first):

doi:10.1007/s11669-023-01074-8 Runlin Liu, Jiong Wang, Dongyu Cui, Thermodynamic Modeling of the Cu-Sb-Se System, J. Phase Equilib. Diffus. 44, 687-703 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2021.102257 W. Gierlotka, I. Lin, S. Chen, W. Gasior, A. Debski, Calphad, 73, 102257(2021).
assessment that models this phase
doi:10.1515/ijmr-1989-800911 G. Ghosh, H.L. Lukas, L. Delaey, Z. Metallkd., 80, 663-68(1989).
assessment that models this phase

ION (Sb–Se)

Id: phase:sb-se:ion; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 486.45–2500 K, x(Se) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:sb-se:ion
tdb: tdb:SbSe-89Gho.tdb:ION

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

SbSe-89Gho.tdb: ION, type code %, sha256 3d9847ebb3a99376…

36: PHASE ION:Y % 2 1 1 !
37: CONST ION:Y : SB+3 : SE-2 VA SE : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-1989-800911 G. Ghosh, H.L. Lukas, L. Delaey, Z. Metallkd., 80, 663-68(1989).
assessment that models this phase

LIQUID (Sb–Se)

Id: phase:sb-se:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 3 of 3 calculated diagram(s): 493.18–2500 K, x(Se) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:sb-se:liquid
tdb: tdb:SbSe-21Gie.tdb:LIQUID, tdb:SbSe-23Liu.tdb:LIQUID, tdb:SbSe-89Gho.tdb:LIQUID

TDB models of LIQUID (3): PHASE and CONSTITUENT statements as written

SbSe-21Gie.tdb: LIQUID, type code %, sha256 9ada23085074f680…

32: PHASE LIQUID:L % 1 1 !
33: CONST LIQUID:L : SB SB2SE3 SE : !

SbSe-23Liu.tdb: LIQUID, type code %, sha256 482b80658bf0ab4a…

33: PHASE LIQUID:L % 1 1 !
34: CONST LIQUID:L : SB SB2SE3 SE : !

SbSe-89Gho.tdb: LIQUID, type code %, sha256 3d9847ebb3a99376…

33: PHASE LIQUID:L % 1 1 !
34: CONST LIQUID:L : SB SB2SE3 SE : !

Example references (3 of 3; assessments first):

doi:10.1007/s11669-023-01074-8 Runlin Liu, Jiong Wang, Dongyu Cui, Thermodynamic Modeling of the Cu-Sb-Se System, J. Phase Equilib. Diffus. 44, 687-703 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2021.102257 W. Gierlotka, I. Lin, S. Chen, W. Gasior, A. Debski, Calphad, 73, 102257(2021).
assessment that models this phase
doi:10.1515/ijmr-1989-800911 G. Ghosh, H.L. Lukas, L. Delaey, Z. Metallkd., 80, 663-68(1989).
assessment that models this phase

SB2SE3_D58 (Sb–Se)

Id: phase:sb-se:sb2se3-d58; status assigned
Structure: Sb2S3 · D5_8 · oP20 · Pnma (62); type st:d5-8-sb2s3-op20; tier A: standard phase name; confidence high
Stoichiometry: Sb 0.4000, Se 0.6000
Stability: stable in 3 of 3 calculated diagram(s): 300–893.15 K, x(Se) 0.6–0.6
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:sb-se:sb2se3-d58
tdb: tdb:SbSe-21Gie.tdb:SB2SE3_D58, tdb:SbSe-23Liu.tdb:SB2SE3_D58, tdb:SbSe-89Gho.tdb:SB2SE3_D58

TDB models of SB2SE3_D58 (3): PHASE and CONSTITUENT statements as written

SbSe-21Gie.tdb: SB2SE3_D58, type code %, sha256 9ada23085074f680…

62: PHASE SB2SE3_D58 % 2 2 3 !
63: CONST SB2SE3_D58 : SB : SE : !

SbSe-23Liu.tdb: SB2SE3_D58, type code %, sha256 482b80658bf0ab4a…

63: PHASE SB2SE3_D58 % 2 2 3 !
64: CONST SB2SE3_D58 : SB : SE : !

SbSe-89Gho.tdb: SB2SE3_D58, type code %, sha256 3d9847ebb3a99376…

66: PHASE SB2SE3_D58 % 2 2 3 !
67: CONST SB2SE3_D58 : SB : SE : !

Example references (3 of 3; assessments first):

doi:10.1007/s11669-023-01074-8 Runlin Liu, Jiong Wang, Dongyu Cui, Thermodynamic Modeling of the Cu-Sb-Se System, J. Phase Equilib. Diffus. 44, 687-703 (2023).
assessment that models this phase
doi:10.1016/j.calphad.2021.102257 W. Gierlotka, I. Lin, S. Chen, W. Gasior, A. Debski, Calphad, 73, 102257(2021).
assessment that models this phase
doi:10.1515/ijmr-1989-800911 G. Ghosh, H.L. Lukas, L. Delaey, Z. Metallkd., 80, 663-68(1989).
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}
}