# Ca system

> Ca system: 68 accepted literature values (crystal structure 45, phase transition 12, formation 5, heat capacity / entropy / enthalpy 4) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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

68 accepted literature values from 13 paper(s) (experimental 11, model 5, DFT 39, unspecified 13); 0 calculated phase diagram(s).

Data: [JSON](https://data.orchid-project.org/literature/systems/CA.json) · [CSV](https://data.orchid-project.org/systems/CA.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#CA) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/CA.html) · [Markdown](https://data.orchid-project.org/systems/CA.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 11 |
| model | 5 |
| DFT | 39 |
| unspecified | 13 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 2 |
| phase transition | 12 |
| formation | 5 |
| heat capacity / entropy / enthalpy | 4 |
| crystal structure | 45 |

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Ca system (2)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 716.15 | polymorphic: βCa ↔ αCa | αCa:  | experimental | [1] Cartigny 2004; _cites Chase 1985_ | Table 3, p. 4, row 3; `ORC-3XPSWUKDWY` |  |
| 716.03 | polymorphic: βCa ↔ αCa | αCa:  | model | [1] Cartigny 2004 | Table 3, p. 4, row 2; `ORC-MLCEBOCZN7` |  |

## Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from [dft_parity.json](https://data.orchid-project.org/literature/dft_parity.json).

Table: Enthalpies of formation, Ca system (5)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| C15-Ca2Ca |  | 8.182 kJ/mol-atom | 0 | DFT |  |  | [2] Ozturk 2005 | Table IV, p. 5, row 33; `ORC-4T6PPMNMVH.c19ed3` |  |
| C15-Ca2Ca |  | 8.201 kJ/mol-atom | 0 | DFT |  |  | [2] Ozturk 2005 | Table IV, p. 5, row 31; `ORC-OHVOHPTKPU.3d337a` |  |
| C15-Ca2Ca |  | 8.201 kJ/mol-atom | 0 | DFT |  |  | [2] Ozturk 2005 | Table IV, p. 5, row 34; `ORC-RBRLISTFX3.c24d82` |  |
| C15-Ca2Ca |  | 8.708 kJ/mol-atom | 0 | DFT |  |  | [2] Ozturk 2005 | Table IV, p. 5, row 32; `ORC-RU5SWY7JGW.072bed` |  |
| fcc-Ca |  | 0 kJ/mol-atom | 0 | unspecified |  |  | [3] Zhong 2006 | Table 2, p. 4, row 22; `ORC-EL47KI3BKF.a48b69` |  |

## Other properties

### Phase transition (12)

Table: Phase transition, Ca system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Phase transition | 714.28 K | 714.28 | polymorphic: Ca-fcc -> Ca-bcc; _Ca-fcc: Ca 1_ | unspecified | [4] ISLAM 2005; _cites ref. 28_ | Table IV, p. 8, row 8; `ORC-2O2NN6WVOX` |  |
| Phase transition | 715.9 K | 715.9 | polymorphic: Ca-fcc -> Ca-bcc; _Ca-fcc: Ca 1_ | model | [4] ISLAM 2005 | Table IV, p. 8, row 9; `ORC-O2BCGA3Q6Z` |  |
| Phase transition | 715.9 K | 715.9 | polymorphic: Ca-fcc -> Ca-bcc; _Ca-fcc: Ca 1_ | unspecified | [4] ISLAM 2005; _cites ref. 26_ | Table IV, p. 8, row 7; `ORC-UR44NRM3ZK` |  |
| Phase transition | 716 K | 716 | polymorphic: (βCa) -> (αCa); _(βCa): Ca 1_ | model | [5] Huang 2008 | Table 3, p. 3, row 19; `ORC-CA7KCG2DVF` |  |
| Phase transition | 716 K | 716 | polymorphic: (βCa) -> (αCa); _(βCa): Ca 1_ | unspecified | [5] Huang 2008; _cites Baren 1988_ [doi](https://doi.org/10.1007/bf02881269) | Table 3, p. 3, row 20; `ORC-RHE6APXWSN` |  |
| Phase transition | 716 K | 716 | polymorphic: Ca-fcc -> Ca-bcc; _Ca-fcc: _ | model | [4] ISLAM 2005 | Table II, p. 5, row 13; `ORC-5OIC3E4J5Q` |  |
| Phase transition | 716 K | 716 | polymorphic: Ca-fcc -> Ca-bcc; _Ca-fcc: _ | unspecified | [4] ISLAM 2005; _cites ref. 15_ | Table II, p. 5, row 12; `ORC-UGACNCNAOX` |  |
| Phase transition | 716 K | 716 | polymorphic: Ca-fcc -> Ca-bcc; _Ca-fcc: _ | unspecified | [4] ISLAM 2005; _cites ref. 14_ | Table II, p. 5, row 11; `ORC-UJGR7MIX2I` |  |
| Phase transition | 728 K | 728 | Ca | experimental | [6] Risold 1996 | p. 2; `ORC-VAFNIQPB3L` | “Bruzzone reports that the ,0Ca to &a transition in equilibrium with CasCu occurs at 728 K, which is 12 K higher than the value for pure Ca used in this work \[SlDin\].” |
| Phase transition | 1114.9 K | 1114.9 | congruent melting: L -> Ca-bcc; _L: Ca 1_ | unspecified | [4] ISLAM 2005; _cites ref. 26_ | Table IV, p. 8, row 4; `ORC-CZZOAYWWIF` |  |
| Phase transition | 1115 K | 1115 | congruent melting: L -> Ca-bcc; _L: Ca 1_ | model | [4] ISLAM 2005 | Table IV, p. 8, row 6; `ORC-FPVFXPWZMB` |  |
| Phase transition | 1116.66 K | 1116.66 | congruent melting: L -> Ca-bcc; _L: Ca 1_ | unspecified | [4] ISLAM 2005; _cites ref. 28_ | Table IV, p. 8, row 5; `ORC-2HJR5BUTWG` |  |

### Heat capacity / entropy / enthalpy (4)

Table: Heat capacity / entropy / enthalpy, Ca system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Entropy; _printed: S,298_ | 43.38 J/mol (basis unstated)/K | 0 | α-Ca | DFT | [7] OHNO 2006 | Table 2, p. 4, row 1; `ORC-QIKY35G52Q.bc4707` |  |
| Entropy; _printed: S,298_ | 41.42 J/mol (basis unstated)/K | 298.15 | α-Ca | experimental | [7] OHNO 2006; _cites Dederichs 1981_ | Table 2, p. 4, row 2; `ORC-4JALEXMPCB.8d551f` |  |
| Heat capacity; _printed: CP298_ | 25.98 J/mol (basis unstated)/K | 0 | α-Ca | DFT | [7] OHNO 2006 | Table 2, p. 4, row 1; `ORC-QIKY35G52Q.86e542` |  |
| Heat capacity; _printed: CP298_ | 25.31 J/mol (basis unstated)/K | 298.15 | α-Ca | experimental | [7] OHNO 2006; _cites Dederichs 1981_ | Table 2, p. 4, row 2; `ORC-4JALEXMPCB.1c7d60` |  |

### Crystal structure (45)

Table: Crystal structure, Ca system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 5.57 Å | 0 | (αCa); _alloy: Ca 1_ | DFT | [8] Li 2013 | Table 1, p. 2, row 5; `ORC-ETWJSAX4GF` |  |
| Lattice a | 4.453 Å | 0 | (βCa); _alloy: Ca 1_ | DFT | [8] Li 2013 | Table 1, p. 2, row 7; `ORC-NCJU5AOL4U` |  |
| Lattice a | 10.208 Å | 0 | C15-Ca2Ca; _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table III, p. 4, row 16; `ORC-ENLNTB5OK5` |  |
| Lattice a | 9.858 Å | 0 | C15-Ca2Ca; _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table III, p. 4, row 17; `ORC-KPGWZGFUJJ` |  |
| Lattice a | 10.123 Å | 0 | C15-Ca2Ca; _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table III, p. 4, row 18; `ORC-PID3FUQW5Z` |  |
| Lattice a | 5.545 Å | 0 | Ca fcc | DFT | [9] Wang 2011 | Table 3, p. 5, row 4; `ORC-U6L2JZN7TH.8533ae` |  |
| Lattice a | 4.349 Å | 0 | bcc (A2); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 24; `ORC-D7VAIC77N5` |  |
| Lattice a | 4.218 Å | 0 | bcc (A2); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 23; `ORC-XLQAGLPPDT` |  |
| Lattice a | 4.211 Å | 0 | bcc (A2); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 22; `ORC-Y4XQRNEQMY` |  |
| Lattice a | 5.492 Å | 0 | fcc (A1); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 20; `ORC-DP6ZHMH6B3` |  |
| Lattice a | 5.545 Å | 0 | fcc (A1); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 18; `ORC-GBNT2ZGW4L` |  |
| Lattice a | 5.344 Å | 0 | fcc (A1); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 19; `ORC-IDAHEKSNRA` |  |
| Lattice a | 5.331 Å | 0 | fcc (A1); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 17; `ORC-N36H7XSYCP` |  |
| Lattice a | 5.5884 Å |  | fcc (A1); _alloy: Ca 1_ | experimental | [2] Ozturk 2005; _cites Bernstein 1959_ [doi](https://doi.org/10.1107/s0365110x59001268) | Table I, p. 3, row 21; `ORC-OY3LODTBMN` |  |
| Lattice a; _printed: a_ | 5.486 Å | 0 | fcc-Ca | unspecified | [3] Zhong 2006 | Table 2, p. 4, row 22; `ORC-CRPEQOGZOL.85cef9` |  |
| Lattice a | 3.769 Å | 0 | hcp (A3); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 26; `ORC-3MKCPUK6W3.652dc5` |  |
| Lattice a | 3.775 Å | 0 | hcp (A3); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 25; `ORC-POICVVOORU.c1b3bc` |  |
| Lattice a | 3.864 Å | 0 | hcp (A3); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 27; `ORC-SHBTP7FLCM.cec73e` |  |
| Lattice a | 4.345 Å | 2 | bcc (A2); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 18; `ORC-67SGNAPXPC` |  |
| Lattice a | 4.48 Å | 2 | bcc (A2); _alloy: Ca 1_ | experimental | [10] Zhong 2006; _cites King 1982_ [doi](https://doi.org/10.1007/bf02892394) | Table 1, p. 4, row 5; `ORC-ARPT66UXCM` |  |
| Lattice a | 4.218 Å | 2 | bcc (A2); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 17; `ORC-OUJTAKRIDP` |  |
| Lattice a | 4.211 Å | 2 | bcc (A2); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 4; `ORC-TE65RFLY3N` |  |
| Lattice a | 5.588 Å | 2 | fcc (A1); _alloy: Ca 1_ | experimental | [10] Zhong 2006; _cites King 1981_ [doi](https://doi.org/10.1007/bf02868307) | Table 1, p. 4, row 3; `ORC-DAZKPLPHEH` |  |
| Lattice a | 5.344 Å | 2 | fcc (A1); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 14; `ORC-NHDBXCBKX6` |  |
| Lattice a | 5.486 Å | 2 | fcc (A1); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 15; `ORC-PF6YVSJU3R` |  |
| Lattice a | 5.331 Å | 2 | fcc (A1); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 1; `ORC-S5ZXHAVDSF` |  |
| Lattice a | 5.545 Å | 2 | fcc (A1); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 2; `ORC-UK2QT6EINH` |  |
| Lattice a | 3.862 Å | 2 | hcp (A3); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 21; `ORC-FPEZO3OFRK.4ee815` |  |
| Lattice a | 3.775 Å | 2 | hcp (A3); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 6; `ORC-Y22VO4OTBZ.ab0538` |  |
| Lattice a | 3.764 Å | 2 | hcp (A3); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 20; `ORC-Y3GPNMTSSO.9007ad` |  |
| Lattice a | 5.5884 Å | 221.5 | fcc (αCa); _fcc (αCa): _ | unspecified | [11] Smith 1988; _cites ref. 2_ | Table I, p. 2, row 1; `ORC-W4XOSVRQS3` |  |
| Lattice a | 5.582 Å | 298.15 | (αCa); _alloy: Ca 1_ | experimental | [8] Li 2013; _cites Bruzzone 1966_ | Table 1, p. 2, row 4; `ORC-AUNQAHH2CN` |  |
| Lattice a | 0.55884 not_printed | 298.15 | (αCa); _(αCa): Ca 1_ | unspecified | [12] Alcock 1986 | Table 1, p. 2, row 1; `ORC-DK5NYZWB4W` |  |
| Lattice a | 4.48 Å | 298.15 | (βCa); _alloy: Ca 1_ | experimental | [8] Li 2013; _cites Bernstein 1959_ [doi](https://doi.org/10.1107/s0365110x59001268) | Table 1, p. 2, row 6; `ORC-ECTKZQFZ2R` |  |
| Lattice a | 5.57 Å | 298.15 | Ca fcc | experimental | [9] Wang 2011 | Table 3, p. 5, row 5; `ORC-I5RX2P45EA.5a91ca` |  |
| Lattice a | 4.48 Å | 642.5 | bcc (βCa); _bcc (βCa): _ | unspecified | [11] Smith 1988; _cites ref. 2_ | Table I, p. 2, row 2; `ORC-O7NLFBDPSS` |  |
| Lattice a | 0.448 not_printed | 1010.15 | (βCa, Ba); _(βCa, Ba): Ca 1_ | unspecified | [12] Alcock 1986; _cites ref. 2_ | Table 1, p. 2, row 3; `ORC-EI2KUGX5RR` |  |
| Lattice c | 6.244 Å | 0 | hcp (A3); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 26; `ORC-3MKCPUK6W3.4b35cf` |  |
| Lattice c | 6.228 Å | 0 | hcp (A3); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 25; `ORC-POICVVOORU.2de688` |  |
| Lattice c | 6.414 Å | 0 | hcp (A3); _alloy: Ca 1_ | DFT | [2] Ozturk 2005 | Table I, p. 3, row 27; `ORC-SHBTP7FLCM.b1f9b9` |  |
| Lattice c | 6.411 Å | 2 | hcp (A3); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 21; `ORC-FPEZO3OFRK.f34c18` |  |
| Lattice c | 6.228 Å | 2 | hcp (A3); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 6; `ORC-Y22VO4OTBZ.17db4f` |  |
| Lattice c | 6.263 Å | 2 | hcp (A3); _alloy: Ca 1_ | DFT | [10] Zhong 2006 | Table 1, p. 4, row 20; `ORC-Y3GPNMTSSO.e0ad6f` |  |
| lattice unspecified axis; _printed: Lattice parameter_ | 4.5 Å |  | Ca | experimental | [13] Zhang 2008; _cites Lide 2002_ | Table 1, p. 2, row 2; `ORC-VY23HMPA22.7cdfae` |  |
| lattice unspecified axis; _printed: Lattice parameter_ | 4.4 Å | 0 | Ca | DFT | [13] Zhang 2008 | Table 1, p. 2, row 1; `ORC-YNXT2G6ACN.a5f6fd` |  |

## Sources

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

1. Y. Cartigny, J.M. Fiorani, A. Maı̂tre, M. Vilasi, Thermodynamic assessment of the Ca–Pb system, Thermochimica Acta 414, 197-202 (2004). [doi:10.1016/j.tca.2004.01.001](https://doi.org/10.1016/j.tca.2004.01.001)
2. Koray Ozturk, Yu Zhong, Long-Qing Chen, Zi-Kui Liu, Jorge O. Sofo, C. Wolverton, Linking first-principles energetics to CALPHAD: An application to thermodynamic modeling of the Al-Ca binary system, Metall Mater Trans A 36, 5-13 (2005). [doi:10.1007/s11661-005-0133-0](https://doi.org/10.1007/s11661-005-0133-0)
3. Yu Zhong, Jorge O. Sofo, Alan A. Luo, Zi-Kui Liu, Thermodynamics modeling of the Mg–Sr and Ca–Mg–Sr systems, Journal of Alloys and Compounds 421, 172-178 (2006). [doi:10.1016/j.jallcom.2005.09.076](https://doi.org/10.1016/j.jallcom.2005.09.076)
4. F. ISLAM, M. MEDRAJ, THERMODYNAMIC MODELLING OF THE Mg-Al-Ca SYSTEM, Canadian Metallurgical Quarterly 44, 523-536 (2005). [doi:10.1179/cmq.2005.44.4.523](https://doi.org/10.1179/cmq.2005.44.4.523)
5. G.X. Huang, L.B. Liu, B.R. Jia, L.G. Zhang, Z.P. Jin, Thermodynamic modeling of the Ca–Ag binary system, Journal of Alloys and Compounds 460, 375-378 (2008). [doi:10.1016/j.jallcom.2007.06.064](https://doi.org/10.1016/j.jallcom.2007.06.064)
6. Daniel Risold, Bengt Hallstedt, Ludwig J. Gauckler, Hans Leo Lukas, Suzana G. Fries, Thermodynamic optimization of the Ca-Cu and Sr-Cu systems, Calphad 20, 151-160 (1996). [doi:10.1016/s0364-5916(96)00022-3](https://doi.org/10.1016/s0364-5916%2896%2900022-3)
7. M OHNO, A KOZLOV, R ARROYAVE, Z LIU, R SCHMIDFETZER, Thermodynamic modeling of the Ca–Sn system based on finite temperature quantities from first-principles and experiment, Acta Materialia 54, 4939-4951 (2006). [doi:10.1016/j.actamat.2006.06.017](https://doi.org/10.1016/j.actamat.2006.06.017)
8. Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013). [doi:10.1016/j.calphad.2013.09.002](https://doi.org/10.1016/j.calphad.2013.09.002)
9. Kun Wang, Junlin Du, Xiangcheng Kong, Xiaoqin Zeng, Jianxin Zou, Zhilin Li et al., Ab initio and thermodynamic investigation on the Ca–H system, International Journal of Hydrogen Energy 36, 13632-13639 (2011). [doi:10.1016/j.ijhydene.2011.08.018](https://doi.org/10.1016/j.ijhydene.2011.08.018)
10. Yu Zhong, Koray Ozturk, Jorge O. Sofo, Zi-Kui Liu, Contribution of first-principles energetics to the Ca–Mg thermodynamic modeling, Journal of Alloys and Compounds 420, 98-106 (2006). [doi:10.1016/j.jallcom.2005.10.033](https://doi.org/10.1016/j.jallcom.2005.10.033)
11. J. F. Smith, K. J. Lee, The Ca−V (Calcium-Vanadium), Sr−V (strontium-Vandadium), and Ba−V (Barium-Vanadium) systems, Bulletin of Alloy Phase Diagrams 9, 466-469 (1988). [doi:10.1007/bf02881868](https://doi.org/10.1007/bf02881868)
12. C. B. Alcock, V. P. Itkin, The Ba−Ca (Barium-Calcium) system, Bulletin of Alloy Phase Diagrams 7, 338-340 (1986). [doi:10.1007/bf02873004](https://doi.org/10.1007/bf02873004)
13. Hui Zhang, Yi Wang, Shunli Shang, Long-Qing Chen, Zi-Kui Liu, Thermodynamic modeling of Mg–Ca–Ce system by combining first-principles and CALPHAD method, Journal of Alloys and Compounds 463, 294-301 (2008). [doi:10.1016/j.jallcom.2007.09.020](https://doi.org/10.1016/j.jallcom.2007.09.020)

## 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 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_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/).