S–Zn phases

9 phases (tier A 6, liquid 1, gas 1, needs_review 1); 0 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 · Markdown · field reference

Phases of the S–Zn system (9)
Phase	Structure	Basis	Stability (calculated)	TDB models
ORTHORHOMBIC_A16 phase:s-zn:a16-orthorhombic	alpha-S · A16 · oF128 · Fddd (70)	tier A: standard phase name	no calculated diagram	1
BCC_A2 phase:s-zn:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	no calculated diagram	1
FCC_A1 phase:s-zn:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	no calculated diagram	1
GAS phase:s-zn:gas	gas	gas	no calculated diagram	1
HCP_A3 phase:s-zn:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	no calculated diagram	1
LIQUID phase:s-zn:liquid	liquid	liquid	no calculated diagram	1
MONOCLINIC_S phase:s-zn:s-monoclinic		needs_review	no calculated diagram	1
ZNS_B3 phase:s-zn:zns-b3	ZnS (sphalerite) · B3 · cF8 · F-43m (216)	tier A: standard phase name	no calculated diagram	1
ZNS_B4 phase:s-zn:zns-b4	ZnS (wurtzite) · B4 · hP4 · P6_3mc (186)	tier A: standard phase name	no calculated diagram	1

ORTHORHOMBIC_A16 (S–Zn)

Id: phase:s-zn: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: no calculated diagram
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:s-zn:a16-orthorhombic
tdb: tdb:ZnS-17Gua.tdb:ORTHORHOMBIC_A16

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

ZnS-17Gua.tdb: ORTHORHOMBIC_A16, type code %, sha256 d2ec903c3b000cae…

64: PHASE ORTHORHOMBIC_A16 % 1 1 !
65: CONST ORTHORHOMBIC_A16 : S : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2017.10.006 Calphad, 59, 171-81(2017).
assessment that models this phase

BCC_A2 (S–Zn)

Id: phase:s-zn:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stoichiometry: Zn 1.0000
Stability: no calculated diagram
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:s-zn:bcc-a2
tdb: tdb:ZnS-17Gua.tdb:BCC_A2

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

ZnS-17Gua.tdb: BCC_A2, type code %B, sha256 d2ec903c3b000cae…

54: PHASE BCC_A2 %B 2 1 3 !
55: CONST BCC_A2 : ZN : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2017.10.006 Calphad, 59, 171-81(2017).
assessment that models this phase

FCC_A1 (S–Zn)

Id: phase:s-zn:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stoichiometry: Zn 1.0000
Stability: no calculated diagram
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:s-zn:fcc-a1
tdb: tdb:ZnS-17Gua.tdb:FCC_A1

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

ZnS-17Gua.tdb: FCC_A1, type code %A, sha256 d2ec903c3b000cae…

49: PHASE FCC_A1 %A 2 1 1 !
50: CONST FCC_A1 : ZN : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2017.10.006 Calphad, 59, 171-81(2017).
assessment that models this phase

GAS (S–Zn)

Id: phase:s-zn:gas; status assigned
Structure: gas; type st:gas; gas; confidence high
Stability: no calculated diagram
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:s-zn:gas
tdb: tdb:ZnS-17Gua.tdb:GAS

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

ZnS-17Gua.tdb: GAS, type code %, sha256 d2ec903c3b000cae…

82: PHASE GAS:G % 1 1 !
83: CONST GAS:G : S S2 S3 S4 S5 S6 S7 S8 ZN ZNS : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2017.10.006 Calphad, 59, 171-81(2017).
assessment that models this phase

HCP_A3 (S–Zn)

Id: phase:s-zn: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: Zn 1.0000
Stability: no calculated diagram
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:s-zn:hcp-a3
tdb: tdb:ZnS-17Gua.tdb:HCP_A3

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

ZnS-17Gua.tdb: HCP_A3, type code %A, sha256 d2ec903c3b000cae…

59: PHASE HCP_A3 %A 2 1 0.5 !
60: CONST HCP_A3 : ZN : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2017.10.006 Calphad, 59, 171-81(2017).
assessment that models this phase

LIQUID (S–Zn)

Id: phase:s-zn:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: no calculated diagram
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:s-zn:liquid
tdb: tdb:ZnS-17Gua.tdb:LIQUID

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

ZnS-17Gua.tdb: LIQUID, type code %, sha256 d2ec903c3b000cae…

44: PHASE LIQUID:L % 1 1 !
45: CONST LIQUID:L : S ZN ZNS : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2017.10.006 Calphad, 59, 171-81(2017).
assessment that models this phase

MONOCLINIC_S (S–Zn)

Id: phase:s-zn: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 — ZnS-17Gua.tdb: 'Prototype beta-S (mP48, P2_1/a)'
Stoichiometry: S 1.0000
Stability: no calculated diagram
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:s-zn:s-monoclinic
tdb: tdb:ZnS-17Gua.tdb:MONOCLINIC_S

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

ZnS-17Gua.tdb: MONOCLINIC_S, type code %, sha256 d2ec903c3b000cae…

69: PHASE MONOCLINIC_S % 1 1 !
70: CONST MONOCLINIC_S : S : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2017.10.006 Calphad, 59, 171-81(2017).
assessment that models this phase

ZNS_B3 (S–Zn)

Id: phase:s-zn:zns-b3; status assigned
Structure: ZnS (sphalerite) · B3 · cF8 · F-43m (216); type st:b3-zns-sphalerite-cf8; tier A: standard phase name; confidence high
Stability: no calculated diagram
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:s-zn:zns-b3
tdb: tdb:ZnS-17Gua.tdb:ZNS_B3

TDB models of ZNS_B3 (1): PHASE and CONSTITUENT statements as written

ZnS-17Gua.tdb: ZNS_B3, type code %, sha256 d2ec903c3b000cae…

74: PHASE ZNS_B3:I % 2 1 1 !
75: CONST ZNS_B3:I : ZNS ZN ZN+2 S-2 ZN2S+2 : VA VA-1 VA+1 : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2017.10.006 Calphad, 59, 171-81(2017).
assessment that models this phase

ZNS_B4 (S–Zn)

Id: phase:s-zn:zns-b4; status assigned
Structure: ZnS (wurtzite) · B4 · hP4 · P6_3mc (186); type st:b4-zns-wurtzite-hp4; tier A: standard phase name; confidence high
Stoichiometry: S 0.5000, Zn 0.5000
Stability: no calculated diagram
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:s-zn:zns-b4
tdb: tdb:ZnS-17Gua.tdb:ZNS_B4

TDB models of ZNS_B4 (1): PHASE and CONSTITUENT statements as written

ZnS-17Gua.tdb: ZNS_B4, type code %, sha256 d2ec903c3b000cae…

79: PHASE ZNS_B4 % 2 1 1 !
80: CONST ZNS_B4 : ZN : S : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2017.10.006 Calphad, 59, 171-81(2017).
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}
}