# Nd–Ru system

> Nd–Ru system: 70 accepted literature values (crystal structure 35, formation 35) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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

70 accepted literature values from 1 paper(s) (model 31, DFT 4, unspecified 35); 0 calculated phase diagram(s). 5 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/ND-RU.json) · [CSV](https://data.orchid-project.org/systems/ND-RU.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#ND-RU) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/ND-RU.html) · [Markdown](https://data.orchid-project.org/systems/ND-RU.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| model | 31 |
| DFT | 4 |
| unspecified | 35 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| formation | 35 |
| crystal structure | 35 |

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

## 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, Nd–Ru system (17)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| Nd3Ru | [Nd3Ru](https://data.orchid-project.org/compounds/Nd3Ru.html) | -25.095 kJ/mol-atom |  | model | -18.787 (mp-aaackyoa) | -18.159 (oqmd-1437319) | [1] Kardellass 2023; _cites Debski 2014_ [doi](https://doi.org/10.2478/amm-2014-0228) | Table 2, p. 7, row 5; `ORC-DJAED4AUNY.07df5d` |  |
| Nd3Ru | [Nd3Ru](https://data.orchid-project.org/compounds/Nd3Ru.html) | -21.846 kJ/mol-atom |  | model | -18.787 (mp-aaackyoa) | -18.159 (oqmd-1437319) | [1] Kardellass 2023; _cites Zhang 2007_ [doi](https://doi.org/10.1016/j.cplett.2007.06.031) | Table 2, p. 7, row 9; `ORC-CADCX3EABU.48d977` |  |
| Nd3Ru |  | -21.451 kJ/mol-atom | 0 | DFT |  |  | [1] Kardellass 2023 | Table 2, p. 7, row 6; `ORC-6KFE7FLSRE.26bf19` |  |
| Nd3Ru |  | -18.79 kJ/mol-atom | 0 | DFT |  |  | [1] Kardellass 2023; _cites Jain 2013_ [doi](https://doi.org/10.1063/1.4812323) | Table 2, p. 7, row 7; `ORC-2KBA7NMGGX.1f473d` |  |
| Nd3Ru |  | -18.117 kJ/mol-atom | 0 | DFT |  |  | [1] Kardellass 2023; _cites Kirklin 2015_ [doi](https://doi.org/10.1038/npjcompumats.2015.10) | Table 2, p. 7, row 8; `ORC-N2B42IOD2X.1ce4aa` |  |
| Nd3Ru | [Nd3Ru](https://data.orchid-project.org/compounds/Nd3Ru.html) | -16.974 kJ/mol-atom |  | model | -18.787 (mp-aaackyoa) | -18.159 (oqmd-1437319) | [1] Kardellass 2023 | Table 2, p. 7, row 4; `ORC-IGWVCPNB7T.10731e` |  |
| Nd3Ru | [Nd3Ru](https://data.orchid-project.org/compounds/Nd3Ru.html) | -15.183 kJ/mol-atom |  | model | -18.787 (mp-aaackyoa) | -18.159 (oqmd-1437319) | [1] Kardellass 2023 | Table 2, p. 7, row 3; `ORC-LHSZRAXCWX.371224` |  |
| Nd3Ru | [Nd3Ru](https://data.orchid-project.org/compounds/Nd3Ru.html) | -15.08 kJ/mol-atom |  | model | -18.787 (mp-aaackyoa) | -18.159 (oqmd-1437319) | [1] Kardellass 2023 | Table 2, p. 7, row 2; `ORC-WX5DFUPIPY.99c478` |  |
| Nd7Ru3 | [Nd7Ru3](https://data.orchid-project.org/compounds/Nd7Ru3.html) | -30.181 kJ/mol-atom |  | model |  | -20.935 (oqmd-2052989) | [1] Kardellass 2023; _cites Debski 2014_ [doi](https://doi.org/10.2478/amm-2014-0228) | Table 2, p. 7, row 27; `ORC-ORQDUTCGW5.1cbaa7` |  |
| Nd7Ru3 | [Nd7Ru3](https://data.orchid-project.org/compounds/Nd7Ru3.html) | -25.367 kJ/mol-atom |  | model |  | -20.935 (oqmd-2052989) | [1] Kardellass 2023; _cites Zhang 2007_ [doi](https://doi.org/10.1016/j.cplett.2007.06.031) | Table 2, p. 7, row 29; `ORC-W47AKPSOOM.11e230` |  |
| Nd7Ru3 |  | -25.145 kJ/mol-atom | 0 | DFT |  |  | [1] Kardellass 2023 | Table 2, p. 7, row 28; `ORC-6VRM73R4HH.54c6e6` |  |
| Nd7Ru3 | [Nd7Ru3](https://data.orchid-project.org/compounds/Nd7Ru3.html) | -17.529 kJ/mol-atom |  | model |  | -20.935 (oqmd-2052989) | [1] Kardellass 2023 | Table 2, p. 7, row 26; `ORC-ZACHWUXVFU.05a500` |  |
| Nd7Ru3 | [Nd7Ru3](https://data.orchid-project.org/compounds/Nd7Ru3.html) | -16.331 kJ/mol-atom |  | model |  | -20.935 (oqmd-2052989) | [1] Kardellass 2023 | Table 2, p. 7, row 25; `ORC-MJK6GE3LIG.69cdf3` |  |
| Nd7Ru3 | [Nd7Ru3](https://data.orchid-project.org/compounds/Nd7Ru3.html) | -15.118 kJ/mol-atom |  | model |  | -20.935 (oqmd-2052989) | [1] Kardellass 2023 | Table 2, p. 7, row 24; `ORC-FGT3TZSBNU.2fedd0` |  |
| NdRu2 | [NdRu2](https://data.orchid-project.org/compounds/NdRu2.html) | -21.949 kJ/mol-atom |  | model | -15.122 (mp-aaacksmz) | -13.816 (oqmd-1367905) | [1] Kardellass 2023 | Table 2, p. 7, row 35; `ORC-X32YE4ZGKP.1eb9d6` |  |
| NdRu2 | [NdRu2](https://data.orchid-project.org/compounds/NdRu2.html) | -16.65 kJ/mol-atom |  | model | -15.122 (mp-aaacksmz) | -13.816 (oqmd-1367905) | [1] Kardellass 2023 | Table 2, p. 7, row 34; `ORC-SXNKOE23KO.d0bad2` |  |
| NdRu2 | [NdRu2](https://data.orchid-project.org/compounds/NdRu2.html) | -16.185 kJ/mol-atom |  | model | -15.122 (mp-aaacksmz) | -13.816 (oqmd-1367905) | [1] Kardellass 2023 | Table 2, p. 7, row 33; `ORC-WXZ7AJECCE.9ece81` |  |

## Other properties

### Formation (18)

Table: Formation, Nd–Ru system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Entropy of formation; _printed: ΔSf_ | -2.023 J/mol-atom/K |  | Nd3Ru; _alloy: Nd 0.75, Ru 0.25_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 4; `ORC-IGWVCPNB7T.125a71` |  |
| Entropy of formation; _printed: ΔSf_ | -0.002 J/mol-atom/K |  | Nd3Ru; _alloy: Nd 0.75, Ru 0.25_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 3; `ORC-LHSZRAXCWX.1c5848` |  |
| Entropy of formation; _printed: ΔSf_ | -1.222 J/mol-atom/K |  | Nd3Ru; _alloy: Nd 0.75, Ru 0.25_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 2; `ORC-WX5DFUPIPY.23dcd4` |  |
| Entropy of formation; _printed: ΔSf_ | -0.124 J/mol-atom/K |  | Nd7Ru3; _alloy: Nd 0.7, Ru 0.3_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 24; `ORC-FGT3TZSBNU.a5e9e3` |  |
| Entropy of formation; _printed: ΔSf_ | -0.12 J/mol-atom/K |  | Nd7Ru3; _alloy: Nd 0.7, Ru 0.3_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 25; `ORC-MJK6GE3LIG.047909` |  |
| Entropy of formation; _printed: ΔSf_ | -1.372 J/mol-atom/K |  | Nd7Ru3; _alloy: Nd 0.7, Ru 0.3_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 26; `ORC-ZACHWUXVFU.03678b` |  |
| Entropy of formation; _printed: ΔSf_ | -2.3 J/mol-atom/K |  | NdRu2; _alloy: Nd 0.333333, Ru 0.666667_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 34; `ORC-SXNKOE23KO.78c2f5` |  |
| Entropy of formation; _printed: ΔSf_ | -0.024 J/mol-atom/K |  | NdRu2; _alloy: Nd 0.333333, Ru 0.666667_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 33; `ORC-WXZ7AJECCE.7e5c37` |  |
| Entropy of formation; _printed: ΔSf_ | -5.001 J/mol-atom/K |  | NdRu2; _alloy: Nd 0.333333, Ru 0.666667_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 35; `ORC-X32YE4ZGKP.346cb1` |  |
| Gibbs energy of formation; _printed: ΔGf_ | -16.211 kJ/mol-atom |  | Nd7Ru3; _alloy: Nd 0.7, Ru 0.3_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 25; `ORC-MJK6GE3LIG.174009` |  |
| Gibbs energy of formation; _printed: ΔGf_ | -16.157 kJ/mol-atom |  | Nd7Ru3; _alloy: Nd 0.7, Ru 0.3_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 26; `ORC-ZACHWUXVFU.053dbf` |  |
| Gibbs energy of formation; _printed: ΔGf_ | -16.947 kJ/mol-atom |  | NdRu2; _alloy: Nd 0.333333, Ru 0.666667_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 35; `ORC-X32YE4ZGKP.1274f8` |  |
| Gibbs energy of formation; _printed: ΔGf at 1000 K_ | -14.95 kJ/mol-atom | 1000 | Nd3Ru; _alloy: Nd 0.75, Ru 0.25_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 4; `ORC-IGWVCPNB7T.5a2804` |  |
| Gibbs energy of formation; _printed: ΔGf at 1000 K_ | -15.181 kJ/mol-atom | 1000 | Nd3Ru; _alloy: Nd 0.75, Ru 0.25_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 3; `ORC-LHSZRAXCWX.00c27c` |  |
| Gibbs energy of formation; _printed: ΔGf at 1000 K_ | -13.858 kJ/mol-atom | 1000 | Nd3Ru; _alloy: Nd 0.75, Ru 0.25_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 2; `ORC-WX5DFUPIPY.0898db` |  |
| Gibbs energy of formation; _printed: ΔGf at 1000 K_ | -14.994 kJ/mol-atom | 1000 | Nd7Ru3; _alloy: Nd 0.7, Ru 0.3_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 24; `ORC-FGT3TZSBNU.916415` |  |
| Gibbs energy of formation; _printed: ΔGf at 1000 K_ | -14.349 kJ/mol-atom | 1000 | NdRu2; _alloy: Nd 0.333333, Ru 0.666667_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 34; `ORC-SXNKOE23KO.2b4f42` |  |
| Gibbs energy of formation; _printed: ΔGf at 1000 K_ | -16.161 kJ/mol-atom | 1000 | NdRu2; _alloy: Nd 0.333333, Ru 0.666667_ | model | [1] Kardellass 2023 | Table 2, p. 7, row 33; `ORC-WXZ7AJECCE.b0a67d` |  |

### Crystal structure (35)

Table: Crystal structure, Nd–Ru system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 7.359 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 5; `ORC-AWDAP6CBFZ.79a676` |  |
| Lattice a | 7.349 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 4; `ORC-IGI7O3VU7V.7a3742` |  |
| Lattice a | 7.353 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 6; `ORC-NMTNPKTA5N.423d4b` |  |
| Lattice a | 7.355 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25; Nd3Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 3; `ORC-S6UUVVQFYE.b33c09` |  |
| Lattice a | 7.303 Å | 890 (\<) | Nd₇Ru₃; _Nd₇Ru₃: Ru 0.3; Nd7Ru3: Ru 0.3_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 10; `ORC-O6S5FINSI5.f48272` |  |
| Lattice a | 16.289 Å | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 8; `ORC-N7OX4Q2HHB.a47e1a` |  |
| Lattice a | 16.295 Å | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286; Nd5Ru2: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 7; `ORC-PEUGKWZEY4.ec7579` |  |
| Lattice a | 16.29 Å | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 9; `ORC-YHIQLJPHB5.70f939` |  |
| Lattice a | 7.608 Å | 1600 (>) | NdRu₂; _NdRu₂: Ru 0.667_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 16; `ORC-7CI6CJWOQA` |  |
| Lattice a | 7.614 Å | 1600 (>) | NdRu₂; _NdRu₂: Ru 0.667; NdRu2: Ru 0.667_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 12; `ORC-KU3OPZ7LZ4` |  |
| Lattice a | 7.612 Å | 1600 (>) | NdRu₂; _NdRu₂: Ru 0.667_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 13; `ORC-M46K4VX54E` |  |
| Lattice a | 5.293 Å | 1600 (>) | NdRu₂; _NdRu₂: Ru 0.667_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 17; `ORC-OTZ7BM5JIF.c35bdf` |  |
| Lattice a | 7.637 Å | 1600 (>) | NdRu₂; _NdRu₂: Ru 0.667_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 14; `ORC-OZEBXMAL22` |  |
| Lattice a | 5.323 Å | 1600 (>) | NdRu₂; _NdRu₂: Ru 0.667_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 15; `ORC-SVG3KXYBZR.fd8ea5` |  |
| Lattice b | 9.65 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 5; `ORC-AWDAP6CBFZ.41b2ad` |  |
| Lattice b | 9.655 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 4; `ORC-IGI7O3VU7V.4ea0d6` |  |
| Lattice b | 9.649 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 6; `ORC-NMTNPKTA5N.0c6f10` |  |
| Lattice b | 9.675 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25; Nd3Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 3; `ORC-S6UUVVQFYE.7a6c89` |  |
| Lattice b | 22.83 Å | 890 (\<) | Nd₇Ru₃; _Nd₇Ru₃: Ru 0.3; Nd7Ru3: Ru 0.3_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 10; `ORC-O6S5FINSI5.ea3f93` |  |
| Lattice b | 6.505 Å | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 8; `ORC-N7OX4Q2HHB.698391` |  |
| Lattice b | 6.509 Å | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286; Nd5Ru2: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 7; `ORC-PEUGKWZEY4.db5098` |  |
| Lattice b | 6.503 Å | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 9; `ORC-YHIQLJPHB5.b5217e` |  |
| Lattice c | 6.448 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 5; `ORC-AWDAP6CBFZ.9d4d76` |  |
| Lattice c | 6.399 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 4; `ORC-IGI7O3VU7V.92b50f` |  |
| Lattice c | 6.406 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 6; `ORC-NMTNPKTA5N.4627cf` |  |
| Lattice c | 6.406 Å | 880 (\<) | Nd₃Ru; _Nd₃Ru: Ru 0.25; Nd3Ru: Ru 0.25_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 3; `ORC-S6UUVVQFYE.14ca80` |  |
| Lattice c | 6.532 Å | 890 (\<) | Nd₇Ru₃; _Nd₇Ru₃: Ru 0.3; Nd7Ru3: Ru 0.3_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 10; `ORC-O6S5FINSI5.cea308` |  |
| Lattice c | 7.339 Å | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 8; `ORC-N7OX4Q2HHB.ef403a` |  |
| Lattice c | 7.342 Å | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286; Nd5Ru2: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 7; `ORC-PEUGKWZEY4.69868e` |  |
| Lattice c | 7.33 Å | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 9; `ORC-YHIQLJPHB5.499f01` |  |
| Lattice c | 8.955 Å | 1600 (>) | NdRu₂; _NdRu₂: Ru 0.667_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 17; `ORC-OTZ7BM5JIF.978a04` |  |
| Lattice c | 9.004 Å | 1600 (>) | NdRu₂; _NdRu₂: Ru 0.667_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 15; `ORC-SVG3KXYBZR.fee828` |  |
| lattice beta | 96.66 ° | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 8; `ORC-N7OX4Q2HHB.102436` |  |
| lattice beta | 96.67 ° | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286; Nd5Ru2: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 7; `ORC-PEUGKWZEY4.4c28e5` |  |
| lattice beta | 96.63 ° | 915 (\<) | Nd₅Ru₂; _Nd₅Ru₂: Ru 0.286_ | unspecified | [1] Kardellass 2023 | Table 1, p. 6, row 9; `ORC-YHIQLJPHB5.4ee4ce` |  |

## Sources

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

1. S. Kardellass, V. P. Vassiliev, K. Mahdouk, N. Laaroussi, N. Selhaoui, Excess Thermodynamic Properties of Solutions in Ln-Ru (Ln = Nd, Gd, Dy) Binary Systems Based on Quadratic, Exponential and Combined Models Supported by Ab-Initio Calculations, J. Phase Equilib. Diffus. 44, 43-75 (2023). [doi:10.1007/s11669-022-01023-x](https://doi.org/10.1007/s11669-022-01023-x)

## 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-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); 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); 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.

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_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/).