Bi–S phases

8 phases (tier A 6, liquid 1, needs_review 1); 4 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 · Bi–S system page · Markdown · field reference

Phases of the Bi–S system (8)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
ORTHORHOMBIC_A16 phase:bi-s:a16-orthorhombic	alpha-S · A16 · oF128 · Fddd (70)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2499.34 K, x(S) 1–1	0	1
RHOMBOHEDRAL_A7 phase:bi-s:a7-rhombohedral	alpha-As · A7 · hR2 · R-3m (166)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–544.52 K, x(S) 0–0	1	1
BCC_A2 phase:bi-s:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
BI2S3_D58 phase:bi-s:bi2s3-d58	Sb2S3 · D5_8 · oP20 · Pnma (62)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1042.41 K, x(S) 0.6–0.6	3	1
FCC_A1 phase:bi-s:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
HCP_A3 phase:bi-s: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:bi-s:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 384.34–2500 K, x(S) 0–1	3	1
MONOCLINIC_S phase:bi-s:s-monoclinic		needs_review	not stable in 1 calculated diagram(s)	0	1

ORTHORHOMBIC_A16 (Bi–S)

Id: phase:bi-s:a16-orthorhombic; status assigned
Structure: alpha-S · A16 · oF128 · Fddd (70); type st:a16-alpha-s-of128; tier A: standard phase name; confidence high
Stoichiometry: S 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–2499.34 K, x(S) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:bi-s:a16-orthorhombic, corpus:phase:bi-s:orthorhombic-a16
tdb: tdb:BiS-14Hua.tdb:ORTHORHOMBIC_A16

TDB models of ORTHORHOMBIC_A16 (1): PHASE and CONSTITUENT statements as written

BiS-14Hua.tdb: ORTHORHOMBIC_A16, type code %, sha256 5bb6b53163e5d599…

53: PHASE ORTHORHOMBIC_A16 % 1 1 !
54: CONST ORTHORHOMBIC_A16 : S : !

Example references (1 of 1; assessments first):

doi:10.1007/s11664-014-3004-x Shenming Huang, Yajun Liu, Yang Chen, Zhitao Kang, Thermodynamic Descriptions and Phase Diagrams for Pb-S and Bi-S Binary Systems, Journal of Elec Materi 43, 1237-1243 (2014).
assessment that models this phase

RHOMBOHEDRAL_A7 (Bi–S)

Id: phase:bi-s: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: Bi 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–544.52 K, x(S) 0–0
Literature: 1 values (1 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:bi-s:a7-rhombohedral, corpus:phase:bi-s:rhombohedral-a7
paper: paper:10.1007/s11664-014-3004-x:Rho_Bi
tdb: tdb:BiS-14Hua.tdb:RHOMBOHEDRAL_A7

TDB models of RHOMBOHEDRAL_A7 (1): PHASE and CONSTITUENT statements as written

BiS-14Hua.tdb: RHOMBOHEDRAL_A7, type code %, sha256 5bb6b53163e5d599…

48: PHASE RHOMBOHEDRAL_A7 % 1 1 !
49: CONST RHOMBOHEDRAL_A7 : BI : !

Example references (1 of 1; assessments first):

doi:10.1007/s11664-014-3004-x Shenming Huang, Yajun Liu, Yang Chen, Zhitao Kang, Thermodynamic Descriptions and Phase Diagrams for Pb-S and Bi-S Binary Systems, Journal of Elec Materi 43, 1237-1243 (2014).
assessment that models this phase; reports values for this phase

BCC_A2 (Bi–S)

Id: phase:bi-s: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 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-s:bcc-a2
tdb: tdb:BiS-14Hua.tdb:BCC_A2

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

BiS-14Hua.tdb: BCC_A2, type code %B, sha256 5bb6b53163e5d599…

38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : BI S : VA : !

Example references (1 of 1; assessments first):

doi:10.1007/s11664-014-3004-x Shenming Huang, Yajun Liu, Yang Chen, Zhitao Kang, Thermodynamic Descriptions and Phase Diagrams for Pb-S and Bi-S Binary Systems, Journal of Elec Materi 43, 1237-1243 (2014).
assessment that models this phase

BI2S3_D58 (Bi–S)

Id: phase:bi-s:bi2s3-d58; status assigned
Structure: Sb2S3 · D5_8 · oP20 · Pnma (62); type st:d5-8-sb2s3-op20; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaabhvc and oqmd-5929, space group 62
Stoichiometry: Bi 0.4000, S 0.6000
Stability: stable in 1 of 1 calculated diagram(s): 300–1042.41 K, x(S) 0.6–0.6
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:bi-s:bi2s3-d58
mp: mp:mp-aaaabhvc
oqmd: oqmd:oqmd-5929
paper: paper:10.1007/s11664-014-3004-x:Bi2S3
tdb: tdb:BiS-14Hua.tdb:BI2S3_D58

TDB models of BI2S3_D58 (1): PHASE and CONSTITUENT statements as written

BiS-14Hua.tdb: BI2S3_D58, type code %, sha256 5bb6b53163e5d599…

63: PHASE BI2S3_D58 % 2 2 3 !
64: CONST BI2S3_D58 : BI : S : !

Example references (1 of 1; assessments first):

doi:10.1007/s11664-014-3004-x Shenming Huang, Yajun Liu, Yang Chen, Zhitao Kang, Thermodynamic Descriptions and Phase Diagrams for Pb-S and Bi-S Binary Systems, Journal of Elec Materi 43, 1237-1243 (2014).
assessment that models this phase; reports values for this phase

FCC_A1 (Bi–S)

Id: phase:bi-s: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 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-s:fcc-a1
tdb: tdb:BiS-14Hua.tdb:FCC_A1

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

BiS-14Hua.tdb: FCC_A1, type code %A, sha256 5bb6b53163e5d599…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : BI S : VA : !

Example references (1 of 1; assessments first):

doi:10.1007/s11664-014-3004-x Shenming Huang, Yajun Liu, Yang Chen, Zhitao Kang, Thermodynamic Descriptions and Phase Diagrams for Pb-S and Bi-S Binary Systems, Journal of Elec Materi 43, 1237-1243 (2014).
assessment that models this phase

HCP_A3 (Bi–S)

Id: phase:bi-s: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: Bi 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:bi-s:hcp-a3
tdb: tdb:BiS-14Hua.tdb:HCP_A3

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

BiS-14Hua.tdb: HCP_A3, type code %A, sha256 5bb6b53163e5d599…

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

Example references (1 of 1; assessments first):

doi:10.1007/s11664-014-3004-x Shenming Huang, Yajun Liu, Yang Chen, Zhitao Kang, Thermodynamic Descriptions and Phase Diagrams for Pb-S and Bi-S Binary Systems, Journal of Elec Materi 43, 1237-1243 (2014).
assessment that models this phase

LIQUID (Bi–S)

Id: phase:bi-s:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 384.34–2500 K, x(S) 0–1
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:bi-s:liquid
paper: paper:10.1007/s11664-014-3004-x:L, paper:10.1007/s11664-014-3004-x:L2
tdb: tdb:BiS-14Hua.tdb:LIQUID

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

BiS-14Hua.tdb: LIQUID, type code %, sha256 5bb6b53163e5d599…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : BI BI2S3 S : !

Example references (1 of 1; assessments first):

doi:10.1007/s11664-014-3004-x Shenming Huang, Yajun Liu, Yang Chen, Zhitao Kang, Thermodynamic Descriptions and Phase Diagrams for Pb-S and Bi-S Binary Systems, Journal of Elec Materi 43, 1237-1243 (2014).
assessment that models this phase; reports values for this phase

MONOCLINIC_S (Bi–S)

Id: phase:bi-s:s-monoclinic; status needs_review
No structure assigned. Why: name_has_descriptive_tokens:MONOCLINIC; no_structure_token
Candidate (sgte_mmc2): beta-S · mP48 · P2_1/c (14) — Hallstedt 2025 mmc2 row for MONOCLINIC_S: beta-S
Candidate (tdb_comment): beta-S · mP48 · P2_1/a — BiS-14Hua.tdb: 'Prototype beta-S (mP48, P2_1/a)'
Stoichiometry: S 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:bi-s:s-monoclinic
tdb: tdb:BiS-14Hua.tdb:MONOCLINIC_S

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

BiS-14Hua.tdb: MONOCLINIC_S, type code %, sha256 5bb6b53163e5d599…

58: PHASE MONOCLINIC_S % 1 1 !
59: CONST MONOCLINIC_S : S : !

Example references (1 of 1; assessments first):

doi:10.1007/s11664-014-3004-x Shenming Huang, Yajun Liu, Yang Chen, Zhitao Kang, Thermodynamic Descriptions and Phase Diagrams for Pb-S and Bi-S Binary Systems, Journal of Elec Materi 43, 1237-1243 (2014).
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}
}