# Cu–S phases > Cu–S system: 14 phases (tier A 4, tier B 1, liquid 2, gas 1, needs_review 6); 12 stable in a calculated diagram in the ORCHID phase registry, with names, structure type when the stored evidence supports an assignment under the stated tier rules, calculated stability, verbatim TDB PHASE/CONSTITUENT statements and example references. HTML: https://data.orchid-project.org/phases/pages/CU-S.html · Markdown: https://data.orchid-project.org/phases/pages/CU-S.md 14 phases (tier A 4, tier B 1, liquid 2, gas 1, needs_review 6); 12 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](https://orchid-project.org/phases/?q=CU-S) · [full JSON](https://data.orchid-project.org/phases/systems/CU-S.json) · [Cu–S system page](https://data.orchid-project.org/systems/CU-S.html) · [Markdown](https://data.orchid-project.org/phases/pages/CU-S.md) · [field reference](https://data.orchid-project.org/phases/SCHEMA.md) Table: Phases of the Cu–S system (14) | Phase | Structure | Basis | Stability (calculated) | Literature values | TDB models | |---|---|---|---|---:|---:| | [ORTHORHOMBIC_A16](#phase-cu-s-a16-orthorhombic); _phase:cu-s:a16-orthorhombic_ | alpha-S · A16 · oF128 · Fddd (70) | tier A: standard phase name | stable in 3 of 3 calculated diagram(s): 300–2499.34 K, x(S) 1–1 | 0 | 3 | | [BCC_A2](#phase-cu-s-bcc-a2); _phase:cu-s:bcc-a2_ | W · A2 · cI2 · Im-3m (229) | tier A: standard phase name | not stable in 3 calculated diagram(s) | 0 | 3 | | [CU2S_ALPHA](#phase-cu-s-cu2s-alpha); _phase:cu-s:cu2s-alpha_ | | needs_review | stable in 3 of 3 calculated diagram(s): 300–379.45 K, x(S) 0.33333–0.33333 | 0 | 3 | | [CU2S_BETA](#phase-cu-s-cu2s-beta); _phase:cu-s:cu2s-beta_ | | needs_review | stable in 3 of 3 calculated diagram(s): 375.97–710.93 K, x(S) 0.33333–0.33333 | 0 | 3 | | [CU2S_GAMMA](#phase-cu-s-cu2s-gamma); _phase:cu-s:cu2s-gamma_ | | needs_review | stable in 3 of 3 calculated diagram(s): 325.41–1411.55 K, x(S) 0.33301–0.36861 | 0 | 3 | | [CU31S16](#phase-cu-s-cu31s16); _phase:cu-s:cu31s16_ | | needs_review | stable in 3 of 3 calculated diagram(s): 300–371.96 K, x(S) 0.3413–0.3413 | 0 | 3 | | [CU7S4](#phase-cu-s-cu7s4); _phase:cu-s:cu7s4_ | Cu7S4 · oP44 · Pnma (62) | tier B: DFT-supported (unique MP + OQMD match) | stable in 3 of 3 calculated diagram(s): 300–350.02 K, x(S) 0.36364–0.36364 | 0 | 3 | | [CUS_B18](#phase-cu-s-cus-b18); _phase:cu-s:cus-b18_ | | needs_review | stable in 3 of 3 calculated diagram(s): 300–779.75 K, x(S) 0.5–0.5 | 0 | 3 | | [FCC_A1](#phase-cu-s-fcc-a1); _phase:cu-s:fcc-a1_ | Cu · A1 · cF4 · Fm-3m (225) | tier A: standard phase name | stable in 3 of 3 calculated diagram(s): 300–1357.77 K, x(S) 0–0.00023 | 0 | 3 | | [GAS](#phase-cu-s-gas); _phase:cu-s:gas_ | gas | gas | stable in 1 of 1 calculated diagram(s): 723.86–2500 K, x(S) 0.96162–1 | 0 | 1 | | [HCP_A3](#phase-cu-s-hcp-a3); _phase:cu-s:hcp-a3_ | Mg · A3 · hP2 · P6_3/mmc (194) | tier A: standard phase name | not stable in 3 calculated diagram(s) | 0 | 3 | | [ION](#phase-cu-s-ion); _phase:cu-s:ion_ | liquid | liquid | stable in 2 of 2 calculated diagram(s): 1314–2328.03 K, x(S) 0–0.33391 | 0 | 2 | | [LIQUID](#phase-cu-s-liquid); _phase:cu-s:liquid_ | liquid | liquid | stable in 3 of 3 calculated diagram(s): 384.34–2500 K, x(S) 0–1 | 3 | 3 | | [MONOCLINIC_S](#phase-cu-s-s-monoclinic); _phase:cu-s:s-monoclinic_ | | needs_review | stable in 1 of 3 calculated diagram(s): 368.33–2499.6 K, x(S) 1–1 | 0 | 3 | ## ORTHORHOMBIC_A16 (Cu–S) - Id: `phase:cu-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 3 of 3 calculated diagram(s): 300–2499.34 K, x(S) 1–1 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:a16-orthorhombic) Names (4): _corpus: _corpus:phase:cu-s:a16-orthorhombic _tdb: _tdb:CuS-07Lee.tdb:ORTHORHOMBIC_A16, tdb:CuS-92Sun-LB.tdb:ORTHORHOMBIC_A16, tdb:CuS-92Sun-newS.tdb:ORTHORHOMBIC_A16 ### TDB models of ORTHORHOMBIC_A16 (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): ORTHORHOMBIC_A16, type code %, sha256 `d5d1065a84e9aabe…` ~~~~text 56: PHASE ORTHORHOMBIC_A16 % 1 1 ! 57: CONST ORTHORHOMBIC_A16 : S : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): ORTHORHOMBIC_A16, type code %, sha256 `b8d5ff92c7cc3e83…` ~~~~text 55: PHASE ORTHORHOMBIC_A16 % 1 1 ! 56: CONST ORTHORHOMBIC_A16 : S : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): ORTHORHOMBIC_A16, type code %, sha256 `137242d5bf305aad…` ~~~~text 62: PHASE ORTHORHOMBIC_A16 % 1 1 ! 63: CONST ORTHORHOMBIC_A16 : S : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase_ ## BCC_A2 (Cu–S) - Id: `phase:cu-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 3 calculated diagram(s) - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:bcc-a2) Names (4): _corpus: _corpus:phase:cu-s:bcc-a2 _tdb: _tdb:CuS-07Lee.tdb:BCC_A2, tdb:CuS-92Sun-LB.tdb:BCC_A2, tdb:CuS-92Sun-newS.tdb:BCC_A2 ### TDB models of BCC_A2 (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): BCC_A2, type code %B, sha256 `d5d1065a84e9aabe…` ~~~~text 46: PHASE BCC_A2 %B 2 1 3 ! 47: CONST BCC_A2 : CU S : VA : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): BCC_A2, type code %B, sha256 `b8d5ff92c7cc3e83…` ~~~~text 45: PHASE BCC_A2 %B 2 1 3 ! 46: CONST BCC_A2 : CU S : VA : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): BCC_A2, type code %B, sha256 `137242d5bf305aad…` ~~~~text 52: PHASE BCC_A2 %B 2 1 3 ! 53: CONST BCC_A2 : CU S : VA : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase_ ## CU2S_ALPHA (Cu–S) - Id: `phase:cu-s:cu2s-alpha`; status `needs_review` - No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition - Candidate (sgte_mmc2): Cu2S-alpha · mP144 · P2_1/c (14) — Hallstedt 2025 mmc2 row for CU2S_ALPHA: Cu2S-alpha (alpha-chalcopyrite) - Candidate (tdb_comment): alpha-Cu2S · mP144 · P2_1/c — CuS-07Lee.tdb: 'Prototype alpha-Cu2S (mP144, P2_1/c), alpha-chalcopyrite' - Candidate (tdb_comment): alpha-Cu2S · mP144 · P2_1/c — CuS-92Sun-LB.tdb: 'Prototype alpha-Cu2S (mP144, P2_1/c), alpha-chalcopyrite' - Candidate (tdb_comment): alpha-Cu2S · mP144 · P2_1/c — CuS-92Sun-newS.tdb: 'Prototype alpha-Cu2S (mP144, P2_1/c), alpha-chalcopyrite' - Stoichiometry: Cu 0.6667, S 0.3333 - Stability: stable in 3 of 3 calculated diagram(s): 300–379.45 K, x(S) 0.33333–0.33333 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:cu2s-alpha) Names (4): _corpus: _corpus:phase:cu-s:cu2s-alpha _tdb: _tdb:CuS-07Lee.tdb:CU2S_ALPHA, tdb:CuS-92Sun-LB.tdb:CU2S_ALPHA, tdb:CuS-92Sun-newS.tdb:CU2S_ALPHA ### TDB models of CU2S_ALPHA (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): CU2S_ALPHA, type code %, sha256 `d5d1065a84e9aabe…` ~~~~text 66: PHASE CU2S_ALPHA % 2 2 1 ! 67: CONST CU2S_ALPHA : CU : S : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): CU2S_ALPHA, type code %, sha256 `b8d5ff92c7cc3e83…` ~~~~text 65: PHASE CU2S_ALPHA % 2 2 1 ! 66: CONST CU2S_ALPHA : CU : S : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): CU2S_ALPHA, type code %, sha256 `137242d5bf305aad…` ~~~~text 72: PHASE CU2S_ALPHA % 2 2 1 ! 73: CONST CU2S_ALPHA : CU : S : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase_ ## CU2S_BETA (Cu–S) - Id: `phase:cu-s:cu2s-beta`; status `needs_review` - No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition - Candidate (sgte_mmc2): Cu2S-beta · hP16 · P6_3/mmc (194) — Hallstedt 2025 mmc2 row for CU2S_BETA: Cu2S-beta (beta-chalcopyrite) - Candidate (tdb_comment): — CuS-07Lee.tdb: 'Prototype InNi2 (B8_2) according to LB-binary' - Candidate (tdb_comment): beta-Cu2S · hP16 · P6_3/mmc — CuS-07Lee.tdb: 'Prototype beta-Cu2S (hP16, P6_3/mmc), beta-chalcopyrite' - Candidate (tdb_comment): — CuS-92Sun-LB.tdb: 'Prototype InNi2 (B8_2) according to LB-binary' - Candidate (tdb_comment): beta-Cu2S · hP16 · P6_3/mmc — CuS-92Sun-LB.tdb: 'Prototype beta-Cu2S (hP16, P6_3/mmc), beta-chalcopyrite' - Candidate (tdb_comment): — CuS-92Sun-newS.tdb: 'Prototype InNi2 (B8_2) according to LB-binary' - Candidate (tdb_comment): beta-Cu2S · hP16 · P6_3/mmc — CuS-92Sun-newS.tdb: 'Prototype beta-Cu2S (hP16, P6_3/mmc), beta-chalcopyrite' - Stoichiometry: Cu 0.6667, S 0.3333 - Stability: stable in 3 of 3 calculated diagram(s): 375.97–710.93 K, x(S) 0.33333–0.33333 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:cu2s-beta) Names (4): _corpus: _corpus:phase:cu-s:cu2s-beta _tdb: _tdb:CuS-07Lee.tdb:CU2S_BETA, tdb:CuS-92Sun-LB.tdb:CU2S_BETA, tdb:CuS-92Sun-newS.tdb:CU2S_BETA ### TDB models of CU2S_BETA (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): CU2S_BETA, type code %, sha256 `d5d1065a84e9aabe…` ~~~~text 72: PHASE CU2S_BETA % 2 2 1 ! 73: CONST CU2S_BETA : CU : S : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): CU2S_BETA, type code %, sha256 `b8d5ff92c7cc3e83…` ~~~~text 71: PHASE CU2S_BETA % 2 2 1 ! 72: CONST CU2S_BETA : CU : S : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): CU2S_BETA, type code %, sha256 `137242d5bf305aad…` ~~~~text 78: PHASE CU2S_BETA % 2 2 1 ! 79: CONST CU2S_BETA : CU : S : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase_ ## CU2S_GAMMA (Cu–S) - Id: `phase:cu-s:cu2s-gamma`; status `needs_review` - No structure assigned. Why: no_structure_token; off_stoichiometric_model - Candidate (dft_mp): Pnma (62) — on-hull MP Cu7S4 at x(S)=0.3636 - Candidate (dft_oqmd): Pnma (62) — on-hull OQMD Cu7 S4 at x(S)=0.3636 - Candidate (sgte_mmc2): Cu2Se-beta · cF44 · Fm-3m (225) — Hallstedt 2025 mmc2 row for CU2S_GAMMA: Cu2S-gamma (digenite) - Candidate (tdb_comment): — CuS-07Lee.tdb: 'Prototype CaF2 according to LB-binary' - Candidate (tdb_comment): Cu2Se · cF44 · Fm-3m — CuS-07Lee.tdb: 'Prototype Cu2Se (cF44, Fm-3m), digenite' - Candidate (tdb_comment): — CuS-92Sun-LB.tdb: 'Prototype CaF2 according to LB-binary' - Candidate (tdb_comment): Cu2Se · cF44 · Fm-3m — CuS-92Sun-LB.tdb: 'Prototype Cu2Se (cF44, Fm-3m), digenite' - Candidate (tdb_comment): — CuS-92Sun-newS.tdb: 'Prototype CaF2 according to LB-binary' - Stability: stable in 3 of 3 calculated diagram(s): 325.41–1411.55 K, x(S) 0.33301–0.36861 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:cu2s-gamma) Names (4): _corpus: _corpus:phase:cu-s:cu2s-gamma _tdb: _tdb:CuS-07Lee.tdb:CU2S_GAMMA, tdb:CuS-92Sun-LB.tdb:CU2S_GAMMA, tdb:CuS-92Sun-newS.tdb:CU2S_GAMMA ### TDB models of CU2S_GAMMA (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): CU2S_GAMMA, type code %, sha256 `d5d1065a84e9aabe…` ~~~~text 78: PHASE CU2S_GAMMA % 3 2 1 1 ! 79: CONST CU2S_GAMMA : CU VA : CU VA : S : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): CU2S_GAMMA, type code %, sha256 `b8d5ff92c7cc3e83…` ~~~~text 77: PHASE CU2S_GAMMA % 3 2 1 1 ! 78: CONST CU2S_GAMMA : CU VA : CU VA : S : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): CU2S_GAMMA, type code %, sha256 `137242d5bf305aad…` ~~~~text 84: PHASE CU2S_GAMMA % 3 2 1 1 ! 85: CONST CU2S_GAMMA : CU VA : CU VA : S : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase_ ## CU31S16 (Cu–S) - Id: `phase:cu-s:cu31s16`; status `needs_review` - No structure assigned. Why: assessment_declared_compound_differs_from_model_composition; no_on_hull_entry_in_both; no_structure_token - Candidate (sgte_mmc2): Cu31S16 · mP376 · P2_1/c (14) — Hallstedt 2025 mmc2 row for CU31S16: Cu31S16 (djurleite) - Candidate (tdb_comment): Cu31S16 · mP376 · P2_1/c — CuS-07Lee.tdb: 'Prototype Cu31S16 (mP376, P2_1/c), djurleite' - Candidate (tdb_comment): Cu31S16 · mP376 · P2_1/c — CuS-92Sun-LB.tdb: 'Prototype Cu31S16 (mP376, P2_1/c), djurleite' - Candidate (tdb_comment): Cu31S16 · mP376 · P2_1/c — CuS-92Sun-newS.tdb: 'Prototype Cu31S16 (mP376, P2_1/c), djurleite' - Stoichiometry: Cu 0.6587, S 0.3413 - Stability: stable in 3 of 3 calculated diagram(s): 300–371.96 K, x(S) 0.3413–0.3413 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:cu31s16) Names (4): _corpus: _corpus:phase:cu-s:cu31s16 _tdb: _tdb:CuS-07Lee.tdb:CU31S16, tdb:CuS-92Sun-LB.tdb:CU31S16, tdb:CuS-92Sun-newS.tdb:CU31S16 ### TDB models of CU31S16 (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): CU31S16, type code %, sha256 `d5d1065a84e9aabe…` ~~~~text 83: PHASE CU31S16 % 2 1.93 1 ! 84: CONST CU31S16 : CU : S : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): CU31S16, type code %, sha256 `b8d5ff92c7cc3e83…` ~~~~text 82: PHASE CU31S16 % 2 1.93 1 ! 83: CONST CU31S16 : CU : S : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): CU31S16, type code %, sha256 `137242d5bf305aad…` ~~~~text 89: PHASE CU31S16 % 2 1.93 1 ! 90: CONST CU31S16 : CU : S : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase_ ## CU7S4 (Cu–S) - Id: `phase:cu-s:cu7s4`; status `assigned` - Structure: Cu7S4 · oP44 · Pnma (62); type `st:cu7s4-op44`; tier B: DFT-supported (unique MP + OQMD match); confidence high - Stoichiometry: Cu 0.6364, S 0.3636 - Stability: stable in 3 of 3 calculated diagram(s): 300–350.02 K, x(S) 0.36364–0.36364 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:cu7s4) Names (6): _corpus: _corpus:phase:cu-s:cu7s4 _mp: _mp:mp-aaabjnnn _oqmd: _oqmd:oqmd-36981 _tdb: _tdb:CuS-07Lee.tdb:CU7S4, tdb:CuS-92Sun-LB.tdb:CU7S4, tdb:CuS-92Sun-newS.tdb:CU7S4 ### TDB models of CU7S4 (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): CU7S4, type code %, sha256 `d5d1065a84e9aabe…` ~~~~text 88: PHASE CU7S4 % 2 1.75 1 ! 89: CONST CU7S4 : CU : S : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): CU7S4, type code %, sha256 `b8d5ff92c7cc3e83…` ~~~~text 87: PHASE CU7S4 % 2 1.75 1 ! 88: CONST CU7S4 : CU : S : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): CU7S4, type code %, sha256 `137242d5bf305aad…` ~~~~text 94: PHASE CU7S4 % 2 1.75 1 ! 95: CONST CU7S4 : CU : S : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase_ ## CUS_B18 (Cu–S) - Id: `phase:cu-s:cus-b18`; status `needs_review` - No structure assigned. Why: assessment_declared_blocked_by:name_suggests_B18_but_dft_space_group_63; name_suggests_B18_but_dft_space_group_63 - Candidate (dft_mp): Cmcm (63) — on-hull MP CuS at x(S)=0.5000 - Candidate (dft_oqmd): Cmcm (63) — on-hull OQMD Cu1 S1 at x(S)=0.5000 - Candidate (name_token): CuS · B18 · hP12 · P6_3/mmc (194) — Strukturbericht/word 'B18' in the TDB name - Candidate (sgte_mmc2): CuS · B18 · hP12 · P6_3/mmc (194) — Hallstedt 2025 mmc2 row for CUS_B18: CuS (covellite) - Candidate (tdb_comment): CuS · hP12 · P6_3/mmc — CuS-07Lee.tdb: 'Prototype CuS (hP12, P6_3/mmc), covellite' - Candidate (tdb_comment): CuS · hP12 · P6_3/mmc — CuS-92Sun-LB.tdb: 'Prototype CuS (hP12, P6_3/mmc), covellite' - Candidate (tdb_comment): CuS · hP12 · P6_3/mmc — CuS-92Sun-newS.tdb: 'Prototype CuS (hP12, P6_3/mmc), covellite' - Stoichiometry: Cu 0.5000, S 0.5000 - Stability: stable in 3 of 3 calculated diagram(s): 300–779.75 K, x(S) 0.5–0.5 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:cus-b18) Names (4): _corpus: _corpus:phase:cu-s:cus-b18 _tdb: _tdb:CuS-07Lee.tdb:CUS_B18, tdb:CuS-92Sun-LB.tdb:CUS_B18, tdb:CuS-92Sun-newS.tdb:CUS_B18 ### TDB models of CUS_B18 (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): CUS_B18, type code %, sha256 `d5d1065a84e9aabe…` ~~~~text 93: PHASE CUS_B18 % 2 1 1 ! 94: CONST CUS_B18 : CU : S : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): CUS_B18, type code %, sha256 `b8d5ff92c7cc3e83…` ~~~~text 92: PHASE CUS_B18 % 2 1 1 ! 93: CONST CUS_B18 : CU : S : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): CUS_B18, type code %, sha256 `137242d5bf305aad…` ~~~~text 99: PHASE CUS_B18 % 2 1 1 ! 100: CONST CUS_B18 : CU : S : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase_ ## FCC_A1 (Cu–S) - Id: `phase:cu-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: stable in 3 of 3 calculated diagram(s): 300–1357.77 K, x(S) 0–0.00023 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:fcc-a1) Names (4): _corpus: _corpus:phase:cu-s:fcc-a1 _tdb: _tdb:CuS-07Lee.tdb:FCC_A1, tdb:CuS-92Sun-LB.tdb:FCC_A1, tdb:CuS-92Sun-newS.tdb:FCC_A1 ### TDB models of FCC_A1 (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): FCC_A1, type code %A, sha256 `d5d1065a84e9aabe…` ~~~~text 41: PHASE FCC_A1 %A 2 1 1 ! 42: CONST FCC_A1 : CU S : VA : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): FCC_A1, type code %A, sha256 `b8d5ff92c7cc3e83…` ~~~~text 40: PHASE FCC_A1 %A 2 1 1 ! 41: CONST FCC_A1 : CU S : VA : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): FCC_A1, type code %A, sha256 `137242d5bf305aad…` ~~~~text 47: PHASE FCC_A1 %A 2 1 1 ! 48: CONST FCC_A1 : CU S : VA : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase_ ## GAS (Cu–S) - Id: `phase:cu-s:gas`; status `assigned` - Structure: gas; type `st:gas`; gas; confidence high - Stability: stable in 1 of 1 calculated diagram(s): 723.86–2500 K, x(S) 0.96162–1 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:gas) Names (2): _corpus: _corpus:phase:cu-s:gas _tdb: _tdb:CuS-07Lee.tdb:GAS ### TDB models of GAS (1): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): GAS, type code %, sha256 `d5d1065a84e9aabe…` ~~~~text 96: PHASE GAS:G % 1 1 ! 97: CONST GAS:G : CU CU2 CU2S CUS S S2 S3 S4 S5 S6 S7 S8 : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase_ ## HCP_A3 (Cu–S) - Id: `phase:cu-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: Cu 1.0000 - Stability: not stable in 3 calculated diagram(s) - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:hcp-a3) Names (4): _corpus: _corpus:phase:cu-s:hcp-a3 _tdb: _tdb:CuS-07Lee.tdb:HCP_A3, tdb:CuS-92Sun-LB.tdb:HCP_A3, tdb:CuS-92Sun-newS.tdb:HCP_A3 ### TDB models of HCP_A3 (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): HCP_A3, type code %A, sha256 `d5d1065a84e9aabe…` ~~~~text 51: PHASE HCP_A3 %A 2 1 0.5 ! 52: CONST HCP_A3 : CU : VA : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): HCP_A3, type code %A, sha256 `b8d5ff92c7cc3e83…` ~~~~text 50: PHASE HCP_A3 %A 2 1 0.5 ! 51: CONST HCP_A3 : CU : VA : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): HCP_A3, type code %A, sha256 `137242d5bf305aad…` ~~~~text 57: PHASE HCP_A3 %A 2 1 0.5 ! 58: CONST HCP_A3 : CU : VA : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase_ ## ION (Cu–S) - Id: `phase:cu-s:ion`; status `assigned` - Structure: liquid; type `st:liquid`; liquid; confidence high - Stability: stable in 2 of 2 calculated diagram(s): 1314–2328.03 K, x(S) 0–0.33391 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:ion) Names (3): _corpus: _corpus:phase:cu-s:ion _tdb: _tdb:CuS-92Sun-LB.tdb:ION, tdb:CuS-92Sun-newS.tdb:ION ### TDB models of ION (2): PHASE and CONSTITUENT statements as written [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): ION, type code %, sha256 `b8d5ff92c7cc3e83…` ~~~~text 35: PHASE ION:Y % 2 1 1 ! 36: CONST ION:Y : CU+1 CU+2 : S-2 VA S : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): ION, type code %, sha256 `137242d5bf305aad…` ~~~~text 42: PHASE ION:Y % 2 1 1 ! 43: CONST ION:Y : CU+1 CU+2 : S-2 VA S : ! ~~~~ ## LIQUID (Cu–S) - Id: `phase:cu-s:liquid`; status `assigned` - Structure: liquid; type `st:liquid`; liquid; confidence high - Stability: stable in 3 of 3 calculated diagram(s): 384.34–2500 K, x(S) 0–1 - Literature: 3 values (2 accepted) from 1 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:liquid) Names (5): _corpus: _corpus:phase:cu-s:liquid _paper: _paper:10.2355/isijinternational.47.163:L _tdb: _tdb:CuS-07Lee.tdb:LIQUID, tdb:CuS-92Sun-LB.tdb:LIQUID, tdb:CuS-92Sun-newS.tdb:LIQUID ### TDB models of LIQUID (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): LIQUID, type code %, sha256 `d5d1065a84e9aabe…` ~~~~text 36: PHASE LIQUID:L % 1 1 ! 37: CONST LIQUID:L : CU CU2S S : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): LIQUID, type code %, sha256 `b8d5ff92c7cc3e83…` ~~~~text 32: PHASE LIQUID:L % 1 1 ! 33: CONST LIQUID:L : CU S : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): LIQUID, type code %, sha256 `137242d5bf305aad…` ~~~~text 39: PHASE LIQUID:L % 1 1 ! 40: CONST LIQUID:L : CU S : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _assessment that models this phase; reports values for this phase_ ## MONOCLINIC_S (Cu–S) - Id: `phase:cu-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 — CuS-07Lee.tdb: 'Prototype beta-S (mP48, P2_1/a)' - Candidate (tdb_comment): beta-S · mP48 · P2_1/a — CuS-92Sun-LB.tdb: 'Prototype beta-S (mP48, P2_1/a)' - Candidate (tdb_comment): beta-S · mP48 · P2_1/a — CuS-92Sun-newS.tdb: 'Prototype beta-S (mP48, P2_1/a)' - Stoichiometry: S 1.0000 - Stability: stable in 1 of 3 calculated diagram(s): 368.33–2499.6 K, x(S) 1–1 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:cu-s:s-monoclinic) Names (4): _corpus: _corpus:phase:cu-s:s-monoclinic _tdb: _tdb:CuS-07Lee.tdb:MONOCLINIC_S, tdb:CuS-92Sun-LB.tdb:MONOCLINIC_S, tdb:CuS-92Sun-newS.tdb:MONOCLINIC_S ### TDB models of MONOCLINIC_S (3): PHASE and CONSTITUENT statements as written [CuS-07Lee.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-07Lee.tdb): MONOCLINIC_S, type code %, sha256 `d5d1065a84e9aabe…` ~~~~text 61: PHASE MONOCLINIC_S % 1 1 ! 62: CONST MONOCLINIC_S : S : ! ~~~~ [CuS-92Sun-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-LB.tdb): MONOCLINIC_S, type code %, sha256 `b8d5ff92c7cc3e83…` ~~~~text 60: PHASE MONOCLINIC_S % 1 1 ! 61: CONST MONOCLINIC_S : S : ! ~~~~ [CuS-92Sun-newS.tdb](https://orchid-project.org/data/databases/sgte-binary/CuS-92Sun-newS.tdb): MONOCLINIC_S, type code %, sha256 `137242d5bf305aad…` ~~~~text 67: PHASE MONOCLINIC_S % 1 1 ! 68: CONST MONOCLINIC_S : S : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.2355/isijinternational.47.163](https://doi.org/10.2355/isijinternational.47.163) Byeong-Joo Lee, Bo Sundman, Sung Il Kim, Kwang-Geun Chin, Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels, ISIJ Int. 47, 163-171 (2007). _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). https://doi.org/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). https://doi.org/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. ```bibtex @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} } ``` --- Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite the ORCHID phase registry and the sources named on the page (TDB assessments, Hallstedt 2025, Materials Project, OQMD). TDB statements are quoted as written; parameter expressions are not reproduced. Field reference: [SCHEMA.md](https://data.orchid-project.org/phases/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt).