In–S phases

13 phases (tier A 6, tier C 4, liquid 1, needs_review 2); 10 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 · In–S system page · Markdown · field reference

Phases of the In–S system (13)
Phase	Structure	Basis	Stability (calculated)	TDB models
ORTHORHOMBIC_A16 phase:in-s:a16-orthorhombic	alpha-S · A16 · oF128 · Fddd (70)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–368.3 K, x(S) 1–1	1
TETRAGONAL_A6 phase:in-s:a6-tetragonal	In · A6 · tI2 · I4/mmm (139)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–429.75 K, x(S) 0–0	1
BCC_A2 phase:in-s:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
FCC_A1 phase:in-s:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
HCP_A3 phase:in-s:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
IN2S3_ALPHA phase:in-s:in2s3-alpha	In2S3-alpha · tI80 · I4_1/amd (141)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–688.71 K, x(S) 0.59938–0.60666	1
IN2S3_GAMMA phase:in-s:in2s3-gamma	(In,As)2S3 · hP7 · P-3m1 (164)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 1024.97–1367.47 K, x(S) 0.59669–0.60816	1
IN2S3_H11 phase:in-s:in2s3-h11	Al2MgO4 · H1_1 · cF56 · Fd-3m (227)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1126.76 K, x(S) 0.57865–0.60153	1
IN6S7 phase:in-s:in6s7	In6S7 · mP26 · P2_1/m (11)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1055.73 K, x(S) 0.53846–0.53846	1
INS_ALPHA phase:in-s:ins-alpha	InS · oP8 · Pnnm (58)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–936.29 K, x(S) 0.5–0.5	1
INS_BETA phase:in-s:ins-beta		needs_review	stable in 1 of 1 calculated diagram(s): 936.29–954.07 K, x(S) 0.5–0.5	1
LIQUID phase:in-s:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 388.36–2500 K, x(S) 0–1	1
MONOCLINIC_S phase:in-s:s-monoclinic		needs_review	stable in 1 of 1 calculated diagram(s): 368.3–388.36 K, x(S) 1–1	1

ORTHORHOMBIC_A16 (In–S)

Id: phase:in-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): 300–368.3 K, x(S) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:in-s:a16-orthorhombic
tdb: tdb:InS-21Shi.tdb:ORTHORHOMBIC_A16

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

InS-21Shi.tdb: ORTHORHOMBIC_A16, type code %, sha256 9ab26bb82792ecbf…

50: PHASE ORTHORHOMBIC_A16 % 1 1 !
51: CONST ORTHORHOMBIC_A16 : S : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

TETRAGONAL_A6 (In–S)

Id: phase:in-s:a6-tetragonal; status assigned
Structure: In · A6 · tI2 · I4/mmm (139); type st:a6-in-ti2; tier A: standard phase name; confidence high
Stoichiometry: In 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–429.75 K, x(S) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:in-s:a6-tetragonal
tdb: tdb:InS-21Shi.tdb:TETRAGONAL_A6

TDB models of TETRAGONAL_A6 (1): PHASE and CONSTITUENT statements as written

InS-21Shi.tdb: TETRAGONAL_A6, type code %, sha256 9ab26bb82792ecbf…

45: PHASE TETRAGONAL_A6 % 1 1 !
46: CONST TETRAGONAL_A6 : IN : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

BCC_A2 (In–S)

Id: phase:in-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:in-s:bcc-a2
tdb: tdb:InS-21Shi.tdb:BCC_A2

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

InS-21Shi.tdb: BCC_A2, type code %B, sha256 9ab26bb82792ecbf…

35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : IN S : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

FCC_A1 (In–S)

Id: phase:in-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:in-s:fcc-a1
tdb: tdb:InS-21Shi.tdb:FCC_A1

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

InS-21Shi.tdb: FCC_A1, type code %A, sha256 9ab26bb82792ecbf…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : IN S : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

HCP_A3 (In–S)

Id: phase:in-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: In 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:in-s:hcp-a3
tdb: tdb:InS-21Shi.tdb:HCP_A3

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

InS-21Shi.tdb: HCP_A3, type code %A, sha256 9ab26bb82792ecbf…

40: PHASE HCP_A3 %A 2 1 0.5 !
41: CONST HCP_A3 : IN : VA: !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

IN2S3_ALPHA (In–S)

Id: phase:in-s:in2s3-alpha; status assigned
Structure: In2S3-alpha · tI80 · I4_1/amd (141); type st:in2s3-alpha-ti80; 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_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system
Stability: stable in 1 of 1 calculated diagram(s): 300–688.71 K, x(S) 0.59938–0.60666
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:in-s:in2s3-alpha
tdb: tdb:InS-21Shi.tdb:IN2S3_ALPHA

TDB models of IN2S3_ALPHA (1): PHASE and CONSTITUENT statements as written

InS-21Shi.tdb: IN2S3_ALPHA, type code %, sha256 9ab26bb82792ecbf…

75: PHASE IN2S3_ALPHA % 3 1 2 4 !
76: CONST IN2S3_ALPHA : IN VA : IN : S : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

IN2S3_GAMMA (In–S)

Id: phase:in-s:in2s3-gamma; status assigned
Structure: (In,As)2S3 · hP7 · P-3m1 (164); type st:in-as-2s3-hp7; 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_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system
Stability: stable in 1 of 1 calculated diagram(s): 1024.97–1367.47 K, x(S) 0.59669–0.60816
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:in-s:in2s3-gamma
tdb: tdb:InS-21Shi.tdb:IN2S3_GAMMA

TDB models of IN2S3_GAMMA (1): PHASE and CONSTITUENT statements as written

InS-21Shi.tdb: IN2S3_GAMMA, type code %, sha256 9ab26bb82792ecbf…

85: PHASE IN2S3_GAMMA % 3 1 2 4 !
86: CONST IN2S3_GAMMA : IN VA : IN : S : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

IN2S3_H11 (In–S)

Id: phase:in-s:in2s3-h11; status assigned
Structure: Al2MgO4 · H1_1 · cF56 · Fd-3m (227); type st:h1-1-al2mgo4-cf56; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–1126.76 K, x(S) 0.57865–0.60153
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:in-s:in2s3-h11
tdb: tdb:InS-21Shi.tdb:IN2S3_H11

TDB models of IN2S3_H11 (1): PHASE and CONSTITUENT statements as written

InS-21Shi.tdb: IN2S3_H11, type code %, sha256 9ab26bb82792ecbf…

80: PHASE IN2S3_H11 % 3 1 2 4 !
81: CONST IN2S3_H11 : IN VA : IN : S : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

IN6S7 (In–S)

Id: phase:in-s:in6s7; status assigned
Structure: In6S7 · mP26 · P2_1/m (11); type st:in6s7-mp26; 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_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: In 0.4615, S 0.5385
Stability: stable in 1 of 1 calculated diagram(s): 300–1055.73 K, x(S) 0.53846–0.53846
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:in-s:in6s7
tdb: tdb:InS-21Shi.tdb:IN6S7

TDB models of IN6S7 (1): PHASE and CONSTITUENT statements as written

InS-21Shi.tdb: IN6S7, type code %, sha256 9ab26bb82792ecbf…

70: PHASE IN6S7 % 2 6 7 !
71: CONST IN6S7 : IN : S : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

INS_ALPHA (In–S)

Id: phase:in-s:ins-alpha; status assigned
Structure: InS · oP8 · Pnnm (58); type st:ins-op8; 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_structure_token, polymorph_family:other phases of this system have the same composition); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: In 0.5000, S 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–936.29 K, x(S) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:in-s:ins-alpha
tdb: tdb:InS-21Shi.tdb:INS_ALPHA

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

InS-21Shi.tdb: INS_ALPHA, type code %, sha256 9ab26bb82792ecbf…

60: PHASE INS_ALPHA % 2 1 1 !
61: CONST INS_ALPHA : IN : S : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

INS_BETA (In–S)

Id: phase:in-s:ins-beta; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition; sgte_mmc2_row_incomplete
Candidate (dft_mp): Pnnm (58) — on-hull MP InS at x(S)=0.5000
Candidate (dft_oqmd): R3m (160) — on-hull OQMD In1 S1 at x(S)=0.5000
Candidate (sgte_mmc2): (InS) — Hallstedt 2025 mmc2 row for INS_BETA: beta-InS
Stoichiometry: In 0.5000, S 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 936.29–954.07 K, x(S) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:in-s:ins-beta
tdb: tdb:InS-21Shi.tdb:INS_BETA

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

InS-21Shi.tdb: INS_BETA, type code %, sha256 9ab26bb82792ecbf…

65: PHASE INS_BETA % 2 1 1 !
66: CONST INS_BETA : IN : S : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

LIQUID (In–S)

Id: phase:in-s:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 388.36–2500 K, x(S) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:in-s:liquid
tdb: tdb:InS-21Shi.tdb:LIQUID

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

InS-21Shi.tdb: LIQUID, type code %, sha256 9ab26bb82792ecbf…

25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : IN IN2S3 S : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
assessment that models this phase

MONOCLINIC_S (In–S)

Id: phase:in-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 — InS-21Shi.tdb: 'Prototype beta-S (mP48, P2_1/a)'
Stoichiometry: S 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 368.3–388.36 K, x(S) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:in-s:s-monoclinic
tdb: tdb:InS-21Shi.tdb:MONOCLINIC_S

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

InS-21Shi.tdb: MONOCLINIC_S, type code %, sha256 9ab26bb82792ecbf…

55: PHASE MONOCLINIC_S % 1 1 !
56: CONST MONOCLINIC_S : S : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2020-7951 C. Shi, N. Li, W. Zhang, Int. J. Mater. Res., 112, 373-83(2021).
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}
}