# Mo–S system

> Mo–S system: 57 accepted literature values (invariant reaction 56, other property 1) and 1 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/MO-S.html · Markdown: https://data.orchid-project.org/systems/MO-S.md

57 accepted literature values from 1 paper(s) (experimental 35, model 18, unspecified 4); 1 calculated phase diagram(s). 4 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: [JSON](https://data.orchid-project.org/literature/systems/MO-S.json) · [CSV](https://data.orchid-project.org/systems/MO-S.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#MO-S) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#MO-S/MoS-18Cui.json) · [phases (10)](https://data.orchid-project.org/phases/pages/MO-S.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/MO-S.html) · [Markdown](https://data.orchid-project.org/systems/MO-S.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 35 |
| model | 18 |
| unspecified | 4 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 56 |
| other property | 1 |

## Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Table: Assessments with a calculated phase diagram

| TDB file | Assessment | SHA-256 | Links |
|---|---|---|---|
| MoS-18Cui.tdb | S. Cui, B. Hu, B. Ouyang, D. Zhao, Thermochim. Acta, 660, 44-55(2018). [doi:10.1016/j.tca.2017.12.011](https://doi.org/10.1016/j.tca.2017.12.011) | `f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d` | [viewer](https://orchid-project.org/phase-diagrams/#MO-S/MoS-18Cui.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoS-18Cui.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoS-18Cui.json) |

Table: Calculated three-phase invariants (model, mole fraction of the second component)

| TDB file | T (K) | Phases at the invariant |
|---|---:|---|
| MoS-18Cui.tdb | 2026.77 | MO2S3_HT (x(S) 0.6) + LIQUID (x(S) 0.60869) + GAS (x(S) 1) |
| MoS-18Cui.tdb | 1992.94 | MO2S3_HT (x(S) 0.6) + MOS2_C7 (x(S) 0.66312) + GAS (x(S) 1) |
| MoS-18Cui.tdb | 1992.94 | MO2S3_HT (x(S) 0.6) + MOS2_C7 (x(S) 0.66311) + GAS (x(S) 1) |
| MoS-18Cui.tdb | 1992.94 | MO2S3_HT (x(S) 0.6) + MOS2_C7 (x(S) 0.66312) + GAS (x(S) 1) |
| MoS-18Cui.tdb | 1889.67 | BCC_A2 (x(S) 0.02647) + LIQUID (x(S) 0.44526) + MO2S3_HT (x(S) 0.6) |
| MoS-18Cui.tdb | 1833 | BCC_A2 (x(S) 0.02544) + MO2S3_HT (x(S) 0.6) + MO2S3_LT (x(S) 0.6) |
| MoS-18Cui.tdb | 1833 | MO2S3_HT (x(S) 0.6) + MO2S3_LT (x(S) 0.6) + MOS2_C7 (x(S) 0.66274) |
| MoS-18Cui.tdb | 1833 | MO2S3_LT (x(S) 0.6) + MO2S3_HT (x(S) 0.6) + MOS2_C7 (x(S) 0.66274) |
| MoS-18Cui.tdb | 1833 | BCC_A2 (x(S) 0.02545) + MO2S3_LT (x(S) 0.6) + MO2S3_HT (x(S) 0.6) |
| MoS-18Cui.tdb | 882.97 | BCC_A2 (x(S) 0.00842) + MO2S3_LT (x(S) 0.6) + MOS2_C7 (x(S) 0.65541) |
| MoS-18Cui.tdb | 882.97 | BCC_A2 (x(S) 0.00842) + MO2S3_LT (x(S) 0.6) + MOS2_C7 (x(S) 0.65541) |
| MoS-18Cui.tdb | 735.29 | MOS2_C7 (x(S) 0.7152) + LIQUID (x(S) 0.99998) + GAS (x(S) 1) |
| MoS-18Cui.tdb | 735.29 | MOS2_C7 (x(S) 0.7152) + LIQUID (x(S) 0.99998) + GAS (x(S) 1) |
| MoS-18Cui.tdb | 384.34 | MOS2_C7 (x(S) 0.69616) + LIQUID (x(S) 1) + ORTHORHOMBIC_A16 (x(S) 1) |
| MoS-18Cui.tdb | 384.34 | MOS2_C7 (x(S) 0.69618) + ORTHORHOMBIC_A16 (x(S) 1) + LIQUID (x(S) 1) |
| MoS-18Cui.tdb | 384.34 | MOS2_C7 (x(S) 0.69617) + LIQUID (x(S) 1) + ORTHORHOMBIC_A16 (x(S) 1) |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/MO/MO-S.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/MO/MO-S.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Mo–S system (56)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 2648.15 | Melting point of MoS2 | MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Cannon 1959_ | Table 3, p. 5, row 1; `ORC-LFNLJKEKQ6` |  |
| 2373.15 | Melting point of MoS2 | MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Takeno 1977_ | Table 3, p. 5, row 5; `ORC-ZSQTWUOHSB` |  |
| 2273.15 | Melting point of MoS2 | MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Moh 1978_ [doi](https://doi.org/10.1007/bfb0047028) | Table 3, p. 5, row 6; `ORC-GZD3P2O5ZF` |  |
| 2226.15 | Liquid = MoS2 + Mo2S3 | MoS2: Mo 0.333333, S 0.666667; Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Vasilyeva 2008_ [doi](https://doi.org/10.1016/j.jallcom.2007.01.175) | Table 3, p. 5, row 35; `ORC-S66KW4BVR2` |  |
| 2223.15 | Liquid = Liquid + bcc_A2 |  | experimental | [1] Cui 2018; _cites Takeno 1977_ | Table 3, p. 5, row 37; `ORC-HLMIQDZXOC` |  |
| 2223.15 | Liquid = Liquid + bcc_A2 |  | experimental | [1] Cui 2018; _cites Moh 1978_ [doi](https://doi.org/10.1007/bfb0047028) | Table 3, p. 5, row 38; `ORC-NRXEYZ7D3S` |  |
| 2173.15 | Melting point of MoS2 | MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Moh 1974_ | Table 3, p. 5, row 4; `ORC-Q4UV2GNBIC` |  |
| 2073.15 | Melting point of MoS2 | MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018 | Table 3, p. 5, row 2; `ORC-2JR45WCCQX` |  |
| 2053.15 | congruent melting: Melting point of β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Vasilyeva 2008_ [doi](https://doi.org/10.1016/j.jallcom.2007.01.175) | Table 3, p. 5, row 16; `ORC-WJLZPVXMYA` |  |
| 2027.35 | congruent melting: Melting point of β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6 | model | [1] Cui 2018 | Table 3, p. 5, row 22; `ORC-FNI2YMBKHE` |  |
| 2027.15 | Liquid = β\_Mo2S3 + gas | Liquid: S 0.61; β\_Mo2S3: Mo 0.4, S 0.6 | model | [1] Cui 2018 | Table 3, p. 5, row 11; `ORC-6DCOBOCTAH` |  |
| 2026.15 | congruent melting: Melting point of β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6 | model | [1] Cui 2018; _cites Shang 2016_ [doi](https://doi.org/10.1021/acs.nanolett.6b02443) | Table 3, p. 5, row 21; `ORC-IL7E4662R6` |  |
| 2023.15 | S2 (g) + Liquid = MoS2 | MoS2: Mo 0.333333, S 0.666667 | model | [1] Cui 2018; _cites Brewer 1980_ | Table 3, p. 5, row 47; `ORC-5GG7PFUEKZ` |  |
| 2013.15 | congruent melting: Melting point of β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Gibner 1998_ [doi](https://doi.org/10.1023/a:1010115620439) | Table 3, p. 5, row 15; `ORC-2BJ3BGJJLQ` |  |
| 2013.15 | other: Melting point of β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Johnson 1983_ [doi](https://doi.org/10.1016/0036-9748%2883%2990262-4) | Table 3, p. 5, row 19; `ORC-GCPDKBS7SX` |  |
| 2013.15 | other: Melting point of β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Moh 1974_ | Table 3, p. 5, row 13; `ORC-KFONYTJEHK` |  |
| 2004.15 | Melting point of MoS2 | MoS2: Mo 0.333333, S 0.666667 | model | [1] Cui 2018; _cites Shang 2016_ [doi](https://doi.org/10.1021/acs.nanolett.6b02443) | Table 3, p. 5, row 7; `ORC-HJZLH7UPII` |  |
| 2004.15 | S2 (g) + Liquid = MoS2 | MoS2: Mo 0.333333, S 0.666667 | model | [1] Cui 2018; _cites Shang 2016_ [doi](https://doi.org/10.1021/acs.nanolett.6b02443) | Table 3, p. 5, row 48; `ORC-XKVBRJWAIP` |  |
| 2004.15 | Liquid = MoS2 + Mo2S3 | MoS2: Mo 0.333333, S 0.666667; Mo2S3: Mo 0.4, S 0.6 | model | [1] Cui 2018; _cites Shang 2016_ [doi](https://doi.org/10.1021/acs.nanolett.6b02443) | Table 3, p. 5, row 36; `ORC-YXMLL4NMOW` |  |
| 1992.15 | MoS2 = β\_Mo2S3 + gas | MoS2: Mo 0.333333, S 0.666667; β\_Mo2S3: Mo 0.4, S 0.6 | model | [1] Cui 2018 | Table 3, p. 5, row 12; `ORC-QTPPQSRLL6` |  |
| 1973.15 | other: Melting point of β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Takeno 1977_ | Table 3, p. 5, row 17; `ORC-H642Y2OPUA` |  |
| 1973.15 | other: Melting point of β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Moh 1978_ [doi](https://doi.org/10.1007/bfb0047028) | Table 3, p. 5, row 18; `ORC-VLWPQZ3OYX` |  |
| 1923.15 | other: Melting point of MoS2 | MoS2: Mo 0.333333, S 0.666667; L: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Zelikman 1956_ | Table 3, p. 5, row 3; `ORC-ZU622MRHVZ` |  |
| 1918.15 | Liquid = bcc_A2 + β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Gibner 1998_ [doi](https://doi.org/10.1023/a:1010115620439) | Table 3, p. 5, row 24; `ORC-M7DOQGLZSE` |  |
| 1889.15 | Liquid = bcc_A2 + β\_Mo2S3 | Liquid: S 0.445; β\_Mo2S3: Mo 0.4, S 0.6 | model | [1] Cui 2018 | Table 3, p. 5, row 34; `ORC-6BWA37SOUS` |  |
| 1888.15 | Liquid = bcc_A2 + β\_Mo2S3 | Liquid: S 0.44; β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Vasilyeva 2008_ [doi](https://doi.org/10.1016/j.jallcom.2007.01.175) | Table 3, p. 5, row 25; `ORC-2EITWT5NZG` |  |
| 1883.15 | Liquid = bcc_A2 + β\_Mo2S3 | Liquid: S 0.41; β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Takeno 1977_ | Table 3, p. 5, row 26; `ORC-54YM6KAE5N` |  |
| 1883.15 | Liquid = bcc_A2 + β\_Mo2S3 | Liquid: S 0.41; β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Moh 1978_ [doi](https://doi.org/10.1007/bfb0047028) | Table 3, p. 5, row 29; `ORC-5FPTDVVJTX` |  |
| 1882.15 | Liquid = bcc_A2 + β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6 | model | [1] Cui 2018; _cites Shang 2016_ [doi](https://doi.org/10.1021/acs.nanolett.6b02443) | Table 3, p. 5, row 33; `ORC-Z2SRX4DZNX` |  |
| 1880.15 | Liquid = bcc_A2 + β\_Mo2S3 | Liquid: S 0.37; β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Johnson 1983_ [doi](https://doi.org/10.1016/0036-9748%2883%2990262-4) | Table 3, p. 5, row 28; `ORC-36WDSGB2IS` |  |
| 1880.15 | Liquid = bcc_A2 + β\_Mo2S3 | Liquid: S 0.37; β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Moh 1974_ | Table 3, p. 5, row 23; `ORC-CSDZ5NQHID` |  |
| 1873.15 | other: Melting point of β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6; L: Mo 0.4, S 0.6 | unspecified | [1] Cui 2018; _cites Starkov 1987_ | Table 3, p. 5, row 20; `ORC-7RX7YA47JH` |  |
| 1873.15 | other: Melting point of β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Gorokh 1964_ | Table 3, p. 5, row 14; `ORC-ZXLQ72UNPV` |  |
| 1853.15 | Boiling point of MoS2 | MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Vasilyeva 2008_ [doi](https://doi.org/10.1016/j.jallcom.2007.01.175) | Table 3, p. 5, row 10; `ORC-FTUQSLFABP` |  |
| 1848.15 | Boiling point of MoS2 | MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Gibner 1998_ [doi](https://doi.org/10.1023/a:1010115620439) | Table 3, p. 5, row 9; `ORC-PXFQVXGXLY` |  |
| 1838.15 | Boiling point of MoS2 | MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Isakova 1961_ | Table 3, p. 5, row 8; `ORC-HIOUCMECUM` |  |
| 1833.15 | polymorphic: α\_Mo2S3 = β\_Mo2S3 | α\_Mo2S3: Mo 0.4, S 0.6; β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Moh 1974_ | Table 3, p. 5, row 54; `ORC-FQ5ZJX4GA5` |  |
| 1833.15 | polymorphic: α\_Mo2S3 = β\_Mo2S3 | α\_Mo2S3: Mo 0.4, S 0.6; β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Moh 1978_ [doi](https://doi.org/10.1007/bfb0047028) | Table 3, p. 5, row 56; `ORC-MPCYTTAV2X` |  |
| 1833.15 | polymorphic: α\_Mo2S3 = β\_Mo2S3 | α\_Mo2S3: Mo 0.4, S 0.6; β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Takeno 1977_ | Table 3, p. 5, row 55; `ORC-RK2Q3P3NWU` |  |
| 1823.15 | Liquid = bcc_A2 + β\_Mo2S3 | Liquid: S 0.42; β\_Mo2S3: Mo 0.4, S 0.6 | model | [1] Cui 2018; _cites Brewer 1980_ | Table 3, p. 5, row 31; `ORC-DHVGODWO6A` |  |
| 1813.15 | Liquid = bcc_A2 + β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Eremenko 1970_ | Table 3, p. 5, row 30; `ORC-CDP5ZWLCPI` |  |
| 1813.15 | Liquid = bcc_A2 + β\_Mo2S3 | β\_Mo2S3: Mo 0.4, S 0.6 | unspecified | [1] Cui 2018; _cites Starkov 1987_ | Table 3, p. 5, row 32; `ORC-Q4HMHS3YNT` |  |
| 1733.15 | Liquid = bcc_A2 + β\_Mo2S3 | Liquid: S 0.48; β\_Mo2S3: Mo 0.4, S 0.6 | experimental | [1] Cui 2018; _cites Patterson 1987_ | Table 3, p. 5, row 27; `ORC-KN3DZMOJ4D` |  |
| 1273.15 | polymorphic: 3R_MoS2 = 2H_MoS2 | 3R_MoS2: Mo 0.333333, S 0.666667; 2H_MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Johnson 1983_ [doi](https://doi.org/10.1016/0036-9748%2883%2990262-4) | Table 3, p. 5, row 53; `ORC-KTS7HJZMB3` |  |
| 937.15 | α\_Mo2S3 = bcc_A2 + MoS2 | α\_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667 | model | [1] Cui 2018; _cites Brewer 1980_ | Table 3, p. 5, row 42; `ORC-CXEQW4ZC6C` |  |
| 937.15 | α\_Mo2S3 = bcc_A2 + MoS2 | α\_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Pouillard 1975_ | Table 3, p. 5, row 41; `ORC-ZQQAMNSUZL` |  |
| 902.15 | α\_Mo2S3 = bcc_A2 + MoS2 | α\_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667 | model | [1] Cui 2018; _cites Shang 2016_ [doi](https://doi.org/10.1021/acs.nanolett.6b02443) | Table 3, p. 5, row 45; `ORC-CRIO3TLLTI` |  |
| 883.15 | α\_Mo2S3 = bcc_A2 + MoS2 | α\_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667 | model | [1] Cui 2018 | Table 3, p. 5, row 46; `ORC-6AFPLHW5IG` |  |
| 883.15 | α\_Mo2S3 = bcc_A2 + MoS2 | α\_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667 | unspecified | [1] Cui 2018; _cites Starkov 1987_ | Table 3, p. 5, row 44; `ORC-DGONXJQPDF` |  |
| 883.15 | α\_Mo2S3 = bcc_A2 + MoS2 | α\_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Morimoto 1962_ | Table 3, p. 5, row 40; `ORC-FGRQPSRGMY` |  |
| 883.15 | α\_Mo2S3 = bcc_A2 + MoS2 | α\_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Johnson 1983_ [doi](https://doi.org/10.1016/0036-9748%2883%2990262-4) | Table 3, p. 5, row 43; `ORC-P7JJDEXOAN` |  |
| 883.15 | α\_Mo2S3 = bcc_A2 + MoS2 | α\_Mo2S3: Mo 0.4, S 0.6; MoS2: Mo 0.333333, S 0.666667 | experimental | [1] Cui 2018; _cites Moh 1974_ | Table 3, p. 5, row 39; `ORC-Y4H6NAQWSX` |  |
| 734.15 | S2 (g) = Liquid + MoS2 | MoS2: Mo 0.333333, S 0.666667 | model | [1] Cui 2018; _cites Shang 2016_ [doi](https://doi.org/10.1021/acs.nanolett.6b02443) | Table 3, p. 5, row 51; `ORC-C6VSRSJWZG` |  |
| 734.15 | S2 (g) = Liquid + MoS2 | MoS2: Mo 0.333333, S 0.666667 | model | [1] Cui 2018 | Table 3, p. 5, row 52; `ORC-EHU3AAKJKB` |  |
| 717.75 | S2 (g) = Liquid + MoS2 | MoS2: Mo 0.333333, S 0.666667 | model | [1] Cui 2018; _cites Brewer 1980_ | Table 3, p. 5, row 49; `ORC-GJLGEAKVMM` |  |
| 717.15 | S2 (g) = Liquid + MoS2 | MoS2: Mo 0.333333, S 0.666667 | unspecified | [1] Cui 2018; _cites Starkov 1987_ | Table 3, p. 5, row 50; `ORC-JTJFCEQPFM` |  |

## Other properties

### Other property (1)

Table: Other property, Mo–S system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Other; _printed: ΔfusH_ | 37479.8 J/mol | 2896 | Mo | model | [1] Cui 2018; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | p. 6; `ORC-6Q42ZTCRMT` | “However, the melting point (Tm) of Mo is 2896.00 K, and the enthalpy of fusion (ΔfusH) of Mo is 37479.78 J/mol \[113\].” |

## Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

1. Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018). [doi:10.1016/j.tca.2017.12.011](https://doi.org/10.1016/j.tca.2017.12.011)

## Please cite

- R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23735569
- R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). https://doi.org/10.5281/zenodo.23735859
- R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). https://doi.org/10.5281/zenodo.23735891
- 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 the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work); 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).

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_literature_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735569},
  url       = {https://doi.org/10.5281/zenodo.23735569},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@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 ORCHID ([CITATION.cff](https://data.orchid-project.org/CITATION.cff)) and the original sources. Quotes are short excerpts kept so that each value can be checked; they remain under the publishers' copyright and are not relicensed. Source papers, page images and full text are not redistributed. Field reference: [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt). Found an error? The report link of a value (Markdown: its id, ORC-..., in the Location column) opens a pre-filled GitHub issue, https://github.com/orchid-calphad/orchid-data/issues/new?template=report-value-error.yml&record_id=\<id>, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).