# Mg–Sb system

> Mg–Sb system: 42 accepted literature values (formation 20, invariant reaction 15, heat capacity / entropy / enthalpy 4, crystal structure 2) and 3 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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

42 accepted literature values from 2 paper(s) (experimental 6, model 34, unspecified 2); 3 calculated phase diagram(s). 8 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/MG-SB.json) · [CSV](https://data.orchid-project.org/systems/MG-SB.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#MG-SB) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#MG-SB/MgSb-05Bal.json) · [phases (8)](https://data.orchid-project.org/phases/pages/MG-SB.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/MG-SB.html) · [Markdown](https://data.orchid-project.org/systems/MG-SB.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 6 |
| model | 34 |
| unspecified | 2 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 15 |
| phase transition | 1 |
| formation | 20 |
| heat capacity / entropy / enthalpy | 4 |
| crystal structure | 2 |

## 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 |
|---|---|---|---|
| MgSb-05Bal.tdb | T. Balakumar, M. Medraj, Calphad, 29, 24-36(2005). [doi:10.1016/j.calphad.2005.03.001](https://doi.org/10.1016/j.calphad.2005.03.001) | `f1acf5dba3a7cdc8b2a8042ea7172a76385dbd076228abbe4554e0e77bb115dc` | [viewer](https://orchid-project.org/phase-diagrams/#MG-SB/MgSb-05Bal.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MgSb-05Bal.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MgSb-05Bal.json) |
| MgSb-21Zha.tdb | J. Zhang, J. Wang, Y. Yuan, Calphad, 75, 102361(2021). [doi:10.1016/j.calphad.2021.102361](https://doi.org/10.1016/j.calphad.2021.102361) | `2dfe7cc47cfb6b8e0b3c4a659df00598fe694bfa105fbc9a42e6eedf56d0efdf` | [viewer](https://orchid-project.org/phase-diagrams/#MG-SB/MgSb-21Zha.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MgSb-21Zha.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MgSb-21Zha.json) |
| MgSb-87Jon.tdb | B. Joensson, J. Agren, Metall. Trans. A, 18A, 1395-1401(1987). [doi:10.1007/BF02646653](https://doi.org/10.1007/BF02646653) | `9ad9f434fc7c389f36c6de1248379c0141452516879fcfa94abd1548cf6d7f22` | [viewer](https://orchid-project.org/phase-diagrams/#MG-SB/MgSb-87Jon.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MgSb-87Jon.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MgSb-87Jon.json) |

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

| TDB file | T (K) | Phases at the invariant |
|---|---:|---|
| MgSb-05Bal.tdb | 1191.83 | MG3SB2_D53 (x(Sb) 0.39769) + MG3SB2_D52 (x(Sb) 0.4) + LIQUID (x(Sb) 0.44953) |
| MgSb-05Bal.tdb | 1181.68 | LIQUID (x(Sb) 0.32559) + MG3SB2_D53 (x(Sb) 0.37561) + MG3SB2_D52 (x(Sb) 0.4) |
| MgSb-05Bal.tdb | 902.18 | HCP_A3 (x(Sb) 0) + LIQUID (x(Sb) 0.07648) + MG3SB2_D52 (x(Sb) 0.4) |
| MgSb-05Bal.tdb | 902.18 | HCP_A3 (x(Sb) 0) + LIQUID (x(Sb) 0.07627) + MG3SB2_D52 (x(Sb) 0.4) |
| MgSb-05Bal.tdb | 854.9 | MG3SB2_D52 (x(Sb) 0.4) + LIQUID (x(Sb) 0.90078) + RHOMBOHEDRAL_A7 (x(Sb) 1) |
| MgSb-05Bal.tdb | 854.9 | MG3SB2_D52 (x(Sb) 0.4) + LIQUID (x(Sb) 0.901) + RHOMBOHEDRAL_A7 (x(Sb) 1) |
| MgSb-21Zha.tdb | 1203.91 | MG3SB2_D53 (x(Sb) 0.39984) + MG3SB2_D52 (x(Sb) 0.4) + LIQUID (x(Sb) 0.47072) |
| MgSb-21Zha.tdb | 1166.72 | LIQUID (x(Sb) 0.31516) + MG3SB2_D53 (x(Sb) 0.38351) + MG3SB2_D52 (x(Sb) 0.39337) |
| MgSb-21Zha.tdb | 901.69 | HCP_A3 (x(Sb) 7.100e-4) + LIQUID (x(Sb) 0.04766) + MG3SB2_D52 (x(Sb) 0.37942) |
| MgSb-21Zha.tdb | 853.07 | MG3SB2_D52 (x(Sb) 0.4) + LIQUID (x(Sb) 0.85782) + RHOMBOHEDRAL_A7 (x(Sb) 1) |
| MgSb-87Jon.tdb | 1203.07 | MG3SB2_D53 (x(Sb) 0.39929) + MG3SB2_D52 (x(Sb) 0.4) + ION (x(Sb) 0.45982) |
| MgSb-87Jon.tdb | 1165.55 | ION (x(Sb) 0.30266) + MG3SB2_D53 (x(Sb) 0.38376) + MG3SB2_D52 (x(Sb) 0.4) |
| MgSb-87Jon.tdb | 901.11 | HCP_A3 (x(Sb) 0) + ION (x(Sb) 0.02542) + MG3SB2_D52 (x(Sb) 0.4) |
| MgSb-87Jon.tdb | 851.75 | MG3SB2_D52 (x(Sb) 0.4) + ION (x(Sb) 0.84712) + RHOMBOHEDRAL_A7 (x(Sb) 1) |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/MG/MG-SB.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/MG/MG-SB.json) · [CALPHAD hull MgSb-05Bal](https://data.orchid-project.org/hulls/calphad-sgte/MG/MG-SB--MgSb-05Bal.json) · [CALPHAD hull MgSb-87Jon](https://data.orchid-project.org/hulls/calphad-sgte/MG/MG-SB--MgSb-87Jon.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Mg–Sb system (15)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 1203 | β/α/Liq | β: Sb 0.399; α: Sb 0.4; Liq: Sb 0.452 | model | [1] Jönsson 1987 | Table I, p. 4, row 4; `ORC-FVM4AFV7QS` |  |
| 1167 | Liq/β/α | Liq: Sb 0.31; β: Sb 0.384; α: Sb 0.4 | model | [1] Jönsson 1987 | Table I, p. 4, row 3; `ORC-NZ2QAMW4DD` |  |
| 902 | L = (Mg) + α-Mg3Sb2 | L: Sb 0.1; α-Mg3Sb2: Mg 0.6, Sb 0.4 | model | [2] Balakumar 2005; _cites Eremenko 1964_ | Table 7, p. 9, row 4; `ORC-4H3YWBZHLD` |  |
| 902 | L = (Mg) + α-Mg3Sb2 | L: Sb 0.026; α-Mg3Sb2: Mg 0.6, Sb 0.4 | model | [2] Balakumar 2005; _cites Jonsson 1987_ [doi](https://doi.org/10.1007/bf02646653) | Table 7, p. 9, row 1; `ORC-FBLKUQATDR` |  |
| 902 | L = (Mg) + α-Mg3Sb2 | L: Sb 0.1; α-Mg3Sb2: Mg 0.6, Sb 0.4 | model | [2] Balakumar 2005; _cites Hansen 1958_ | Table 7, p. 9, row 3; `ORC-FBMD7EQRRG` |  |
| 902 | L = (Mg) + α-Mg3Sb2 | L: Sb 0.1; α-Mg3Sb2: Mg 0.6, Sb 0.4 | model | [2] Balakumar 2005; _cites Grube 1934_ | Table 7, p. 9, row 2; `ORC-HRM6CZS4T4` |  |
| 902 | HCP/Liq/α\* | HCP: Sb 0; Liq: Sb 0.026; α\*: Sb 0.4 | model | [1] Jönsson 1987 | Table I, p. 4, row 2; `ORC-M7JSQKTJVP` |  |
| 902 | L = (Mg) + α-Mg3Sb2 | L: Sb 0.076; α-Mg3Sb2: Mg 0.6, Sb 0.4 | model | [2] Balakumar 2005 | Table 7, p. 9, row 5; `ORC-XP7SZZKJJL` |  |
| 898.8 | eutectic: L -> α-Mg3Sb2 + (Mg) | L: Mg 0.93, Sb 0.063 | model | [2] Balakumar 2005 | Table 9, p. 10, row 2; `ORC-VALEQZVPFL` |  |
| 854 | L = (Sb) + α-Mg3Sb2 | L: Sb 0.9; α-Mg3Sb2: Mg 0.6, Sb 0.4 | model | [2] Balakumar 2005 | Table 7, p. 9, row 10; `ORC-NOMNFDCZLB` |  |
| 852 | α/Liq/α-Sb | α: Sb 0.4; Liq: Sb 0.848; α-Sb: Sb 1 | model | [1] Jönsson 1987 | Table I, p. 4, row 5; `ORC-7OVMCCM7TX` |  |
| 852 | L = (Sb) + α-Mg3Sb2 | L: Sb 0.86; α-Mg3Sb2: Mg 0.6, Sb 0.4 | model | [2] Balakumar 2005; _cites Grube 1934_ | Table 7, p. 9, row 7; `ORC-GADTR3TCRF` |  |
| 852 | L = (Sb) + α-Mg3Sb2 | L: Sb 0.848; α-Mg3Sb2: Mg 0.6, Sb 0.4 | model | [2] Balakumar 2005; _cites Jonsson 1987_ [doi](https://doi.org/10.1007/bf02646653) | Table 7, p. 9, row 6; `ORC-LSQC7WD2HQ` |  |
| 852 | L = (Sb) + α-Mg3Sb2 | L: Sb 0.87; α-Mg3Sb2: Mg 0.6, Sb 0.4 | model | [2] Balakumar 2005; _cites Eremenko 1964_ | Table 7, p. 9, row 9; `ORC-PAEWDZQ74C` |  |
| 852 | L = (Sb) + α-Mg3Sb2 | L: Sb 0.86; α-Mg3Sb2: Mg 0.6, Sb 0.4 | model | [2] Balakumar 2005; _cites Hansen 1958_ | Table 7, p. 9, row 8; `ORC-QUUEXJV7KR` |  |

## 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, Mg–Sb system (16)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| Mg3Sb2 | [Mg3Sb2](https://data.orchid-project.org/compounds/Mg3Sb2.html) | -64 kJ/mol-atom ± 8 | 800 | model | -43.056 (mp-aaacqblj) | -36.528 (oqmd-116230) | [1] Jönsson 1987; _cites Hultgren 1973_ | Table 1I, p. 4, row 8; `ORC-T7HTVUGFAK.701a22` |  |
| Mg3Sb2 | [Mg3Sb2](https://data.orchid-project.org/compounds/Mg3Sb2.html) | -60 kJ/mol-atom | 298.15 | model | -43.056 (mp-aaacqblj) | -36.528 (oqmd-116230) | [1] Jönsson 1987; _cites Barin 1977_ [doi](https://doi.org/10.1007/978-3-662-02293-1) | Table 1I, p. 4, row 2; `ORC-I5AHK7ATFQ.044853` |  |
| Mg3Sb2 | [Mg3Sb2](https://data.orchid-project.org/compounds/Mg3Sb2.html) | -59.8 kJ/mol-atom ± 0.6 | 900 | model | -43.056 (mp-aaacqblj) | -36.528 (oqmd-116230) | [1] Jönsson 1987; _cites Rao 1971_ | Table 1I, p. 4, row 10; `ORC-OH45YAVE2N.9feac7` |  |
| Mg3Sb2 | [Mg3Sb2](https://data.orchid-project.org/compounds/Mg3Sb2.html) | -57 kJ/mol-atom | 923 | model | -43.056 (mp-aaacqblj) | -36.528 (oqmd-116230) | [1] Jönsson 1987; _cites Kubaschewski 1939_ | Table 1I, p. 4, row 12; `ORC-B6MRMXFRU4.88f72c` |  |
| Mg3Sb2 | [Mg3Sb2](https://data.orchid-project.org/compounds/Mg3Sb2.html) | -55.2 kJ/mol-atom | 298.15 | model | -43.056 (mp-aaacqblj) | -36.528 (oqmd-116230) | [1] Jönsson 1987 | Table 1I, p. 4, row 1; `ORC-D4BOPSKDPA.88eb87` |  |
| Mg3Sb2 | [Mg3Sb2](https://data.orchid-project.org/compounds/Mg3Sb2.html) | -53.2 kJ/mol-atom | 773 | model | -43.056 (mp-aaacqblj) | -36.528 (oqmd-116230) | [1] Jönsson 1987 | Table 1I, p. 4, row 5; `ORC-V6GXATDZD2.4ff1ca` |  |
| Mg3Sb2 | [Mg3Sb2](https://data.orchid-project.org/compounds/Mg3Sb2.html) | -53.2 kJ/mol-atom | 800 | model | -43.056 (mp-aaacqblj) | -36.528 (oqmd-116230) | [1] Jönsson 1987 | Table 1I, p. 4, row 7; `ORC-WGUPYZ76WC.210064` |  |
| Mg3Sb2 | [Mg3Sb2](https://data.orchid-project.org/compounds/Mg3Sb2.html) | -52.6 kJ/mol-atom | 900 | model | -43.056 (mp-aaacqblj) | -36.528 (oqmd-116230) | [1] Jönsson 1987 | Table 1I, p. 4, row 9; `ORC-TN5CSURPLF.6cc7e2` |  |
| Mg3Sb2 | [Mg3Sb2](https://data.orchid-project.org/compounds/Mg3Sb2.html) | -52.4 kJ/mol-atom | 923 | model | -43.056 (mp-aaacqblj) | -36.528 (oqmd-116230) | [1] Jönsson 1987 | Table 1I, p. 4, row 11; `ORC-MQX3HO7MYO.7825da` |  |
| Mg3Sb2 | [Mg3Sb2](https://data.orchid-project.org/compounds/Mg3Sb2.html) | -47 kJ/mol-atom ± 1.2 | 773 | experimental | -43.056 (mp-aaacqblj) | -36.528 (oqmd-116230) | [1] Jönsson 1987; _cites Eremenko 1964_ | Table 1I, p. 4, row 6; `ORC-LOEUZNK44H.0d74e1` |  |
| α-Mg3Sb2 |  | -490 kJ/mol (basis unstated) | 298.15 | model |  |  | [2] Balakumar 2005 | Table 8, p. 9, row 6; `ORC-4VU7MLTQ6B.6995de` |  |
| α-Mg3Sb2 |  | -320 kJ/mol (basis unstated) ± 40 | 800 | model |  |  | [2] Balakumar 2005; _cites Hultgren 1973_ | Table 8, p. 9, row 4; `ORC-P3PERMDXQV.6fe0c8` |  |
| α-Mg3Sb2 |  | -300 kJ/mol (basis unstated) | 298.15 | model |  |  | [2] Balakumar 2005; _cites Barin 1977_ | Table 8, p. 9, row 5; `ORC-LGR5HFS5UH` |  |
| α-Mg3Sb2 |  | -299 kJ/mol (basis unstated) ± 3 | 900 | experimental |  |  | [2] Balakumar 2005; _cites Rao 1971_ | Table 8, p. 9, row 1; `ORC-S73UBRDYOW.bf3b44` |  |
| α-Mg3Sb2 |  | -285 kJ/mol (basis unstated) | 923 | experimental |  |  | [2] Balakumar 2005; _cites Kubaschewski 1939_ | Table 8, p. 9, row 3; `ORC-74VG6UDUNM` |  |
| α-Mg3Sb2 |  | -235 kJ/mol (basis unstated) ± 6 | 773 | experimental |  |  | [2] Balakumar 2005; _cites Eremenko 1964_ | Table 8, p. 9, row 2; `ORC-5K5LBJTMYL.bb5e36` |  |

## Other properties

### Phase transition (1)

Table: Phase transition, Mg–Sb system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Phase transition | 1518 K | 1518 | Liq/β\*; _Liq: Sb 0.399; β\*: Sb 0.399_ | model | [1] Jönsson 1987 | Table I, p. 4, row 1; `ORC-DRMA2AK5KX` |  |

### Formation (4)

Table: Formation, Mg–Sb system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Entropy of formation; _printed: ΔSf_ | -54 J/mol (basis unstated)/K | 298.15 | α-Mg3Sb2; _alloy: Sb 0.4_ | model | [2] Balakumar 2005 | Table 8, p. 9, row 6; `ORC-4VU7MLTQ6B.7c2b8d` |  |
| Entropy of formation; _printed: ΔSf_ | -15 J/mol (basis unstated)/K ± 10 | 773 | α-Mg3Sb2; _alloy: Sb 0.4_ | experimental | [2] Balakumar 2005; _cites Eremenko 1964_ | Table 8, p. 9, row 2; `ORC-5K5LBJTMYL.ec2e79` |  |
| Entropy of formation; _printed: ΔSf_ | -91 J/mol (basis unstated)/K ± 52 | 800 | α-Mg3Sb2; _alloy: Sb 0.4_ | model | [2] Balakumar 2005; _cites Hultgren 1973_ | Table 8, p. 9, row 4; `ORC-P3PERMDXQV.78ff02` |  |
| Entropy of formation; _printed: ΔSf_ | -59 J/mol (basis unstated)/K ± 5 | 900 | α-Mg3Sb2; _alloy: Sb 0.4_ | experimental | [2] Balakumar 2005; _cites Rao 1971_ | Table 8, p. 9, row 1; `ORC-S73UBRDYOW.d043af` |  |

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

Table: Heat capacity / entropy / enthalpy, Mg–Sb system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Entropy; _printed: S^α\_298_ | 26.06 J/mol-atom/K | 298.15 | Mg3Sb2; _alloy: Sb 0.4_ | model | [1] Jönsson 1987; _cites Barin 1977_ [doi](https://doi.org/10.1007/978-3-662-02293-1) | Table 1I, p. 4, row 4; `ORC-7HDXOOQZGF.5bdf2a` |  |
| Entropy; _printed: S°α 298_ | 29 J/mol-atom/K | 298.15 | Mg3Sb2; _alloy: Sb 0.4_ | model | [1] Jönsson 1987 | Table 1I, p. 4, row 3; `ORC-ZFEHOVLO3L.0f6ac9` |  |
| Entropy; _printed: ΔS α→β 1203_ | 88.2 J/mol, K per formula unit | 1203 | Mg3Sb2; _alloy: Sb 0.4_ | model | [1] Jönsson 1987 | Table 1I, p. 4, row 15; `ORC-QYOZDZAJU5.6fef3e` |  |
| Entropy; _printed: ΔS α→β 1203_ | 61.2 J/mol, K per formula unit | 1203 | Mg3Sb2; _alloy: Sb 0.4_ | model | [1] Jönsson 1987; _cites Barin 1977_ [doi](https://doi.org/10.1007/978-3-662-02293-1) | Table 1I, p. 4, row 16; `ORC-ZVPSOSNJRZ.86ed90` |  |

### Crystal structure (2)

Table: Crystal structure, Mg–Sb system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 4.5822 Å | 298.15 | α-Mg3Sb2; _α-Mg3Sb2: Mg 0.6, Sb 0.4_ | unspecified | [2] Balakumar 2005; _cites Nayeb-Hashemi 1985_ | Table 1, p. 4, row 2; `ORC-2EMAZ3ZST2.17c04b` |  |
| Lattice c | 7.2436 Å | 298.15 | α-Mg3Sb2; _α-Mg3Sb2: Mg 0.6, Sb 0.4_ | unspecified | [2] Balakumar 2005; _cites Nayeb-Hashemi 1985_ | Table 1, p. 4, row 2; `ORC-2EMAZ3ZST2.edaec8` |  |

## Sources

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

1. Björn Jönsson, John Ågren, A theoretical evaluation of chemical ordering and glass transition in liquid Mg-Sb alloys, Metall Trans A 18, 1395-1401 (1987). [doi:10.1007/bf02646653](https://doi.org/10.1007/bf02646653)
2. T. Balakumar, M. Medraj, Thermodynamic modeling of the Mg–Al–Sb system, Calphad 29, 24-36 (2005). [doi:10.1016/j.calphad.2005.03.001](https://doi.org/10.1016/j.calphad.2005.03.001)

## 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/).