# Mo–Zr system

> Mo–Zr system: 43 accepted literature values (invariant reaction 40, formation 3) and 4 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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

43 accepted literature values from 2 paper(s) (experimental 23, model 18, DFT 1, unspecified 1); 4 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/MO-ZR.json) · [CSV](https://data.orchid-project.org/systems/MO-ZR.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#MO-ZR) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#MO-ZR/MoZr-02Zin.json) · [phases (7)](https://data.orchid-project.org/phases/pages/MO-ZR.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/MO-ZR.html) · [Markdown](https://data.orchid-project.org/systems/MO-ZR.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 23 |
| model | 18 |
| DFT | 1 |
| unspecified | 1 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 40 |
| formation | 3 |

## 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 |
|---|---|---|---|
| MoZr-02Zin.tdb | M. Zinkevich, N. Mattern, J. Phase Equilib., 23, 156-62(2002). [doi:10.1361/1054971023604242](https://doi.org/10.1361/1054971023604242) | `ee25c91ae357c469010f96b1010fefd51a8acb6f13ec155045a5a3c8139edd9d` | [viewer](https://orchid-project.org/phase-diagrams/#MO-ZR/MoZr-02Zin.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoZr-02Zin.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoZr-02Zin.json) |
| MoZr-03Jer-LB.tdb | R. Jerlerud Perez, B. Sundman, Calphad, 27, 253-62(2003). [doi:10.1016/j.calphad.2003.09.003](https://doi.org/10.1016/j.calphad.2003.09.003) | `cc90f5904fa89fd4adaa1966470564e2fcbd0835e7a903633a0462cd9fe77012` | [viewer](https://orchid-project.org/phase-diagrams/#MO-ZR/MoZr-03Jer-LB.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoZr-03Jer-LB.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoZr-03Jer-LB.json) |
| MoZr-20Jia.tdb | C. Jiang, R.D. Mariani, C.A. Adkins, Materialia, 10, 100701(2020). [doi:10.1016/j.mtla.2020.100701](https://doi.org/10.1016/j.mtla.2020.100701) | `3010bc0a3e13c7e8d07b74c1446a7facffba2e27ffcf270d3b2f14f9520e7d14` | [viewer](https://orchid-project.org/phase-diagrams/#MO-ZR/MoZr-20Jia.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoZr-20Jia.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoZr-20Jia.json) |
| MoZr-20Zha.tdb | R. Zhao, J. Wang, H. Yuan, B. Hu, Y. Du, Z. Tan, Calphad, 69, 101766(2020). [doi:10.1016/j.calphad.2020.101766](https://doi.org/10.1016/j.calphad.2020.101766) | `0ab607d182d6f8458e608696e5bf43c127b19dc0e128100ce079983330ac6870` | [viewer](https://orchid-project.org/phase-diagrams/#MO-ZR/MoZr-20Zha.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoZr-20Zha.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoZr-20Zha.json) |

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

| TDB file | T (K) | Phases at the invariant |
|---|---:|---|
| MoZr-02Zin.tdb | 2188.4 | BCC_A2 (x(Zr) 0.06608) + C15_LAVES (x(Zr) 0.34314) + LIQUID (x(Zr) 0.47285) |
| MoZr-02Zin.tdb | 1849.07 | C15_LAVES (x(Zr) 0.37257) + LIQUID (x(Zr) 0.70394) + BCC_A2 (x(Zr) 0.81928) |
| MoZr-02Zin.tdb | 1002.73 | C15_LAVES (x(Zr) 0.33875) + BCC_A2 (x(Zr) 0.93074) + HCP_A3 (x(Zr) 0.99686) |
| MoZr-03Jer-LB.tdb | 2194.21 | BCC_A2 (x(Zr) 0.09801) + C15_LAVES (x(Zr) 0.33476) + LIQUID (x(Zr) 0.45745) |
| MoZr-03Jer-LB.tdb | 1824.95 | C15_LAVES (x(Zr) 0.34335) + LIQUID (x(Zr) 0.71726) + BCC_A2 (x(Zr) 0.76942) |
| MoZr-03Jer-LB.tdb | 1050.21 | C15_LAVES (x(Zr) 0.33426) + BCC_A2 (x(Zr) 0.95731) + HCP_A3 (x(Zr) 0.99788) |
| MoZr-20Jia.tdb | 2190.17 | BCC_A2 (x(Zr) 0.06243) + C15_LAVES (x(Zr) 0.34114) + LIQUID (x(Zr) 0.45973) |
| MoZr-20Jia.tdb | 1825.23 | C15_LAVES (x(Zr) 0.35428) + LIQUID (x(Zr) 0.71082) + BCC_A2 (x(Zr) 0.7701) |
| MoZr-20Jia.tdb | 1037.21 | C15_LAVES (x(Zr) 0.33876) + BCC_A2 (x(Zr) 0.95974) + HCP_A3 (x(Zr) 1) |
| MoZr-20Jia.tdb | 1037.21 | C15_LAVES (x(Zr) 0.33875) + BCC_A2 (x(Zr) 0.95979) + HCP_A3 (x(Zr) 1) |
| MoZr-20Zha.tdb | 2931.37 | HCP_A3 (x(Zr) 1) + LIQUID (x(Zr) 1) + BCC_A2 (x(Zr) 1) |
| MoZr-20Zha.tdb | 2164.48 | BCC_A2 (x(Zr) 0.09481) + C15_LAVES (x(Zr) 0.33618) + LIQUID (x(Zr) 0.46199) |
| MoZr-20Zha.tdb | 1825.2 | C15_LAVES (x(Zr) 0.34037) + LIQUID (x(Zr) 0.70303) + BCC_A2 (x(Zr) 0.78441) |
| MoZr-20Zha.tdb | 1047.37 | C15_LAVES (x(Zr) 0.33382) + BCC_A2 (x(Zr) 0.95532) + HCP_A3 (x(Zr) 0.99876) |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/MO/MO-ZR.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/MO/MO-ZR.json) · [CALPHAD hull MoZr-02Zin](https://data.orchid-project.org/hulls/calphad-sgte/MO/MO-ZR--MoZr-02Zin.json) · [CALPHAD hull MoZr-03Jer-LB](https://data.orchid-project.org/hulls/calphad-sgte/MO/MO-ZR--MoZr-03Jer-LB.json) · [CALPHAD hull MoZr-20Zha](https://data.orchid-project.org/hulls/calphad-sgte/MO/MO-ZR--MoZr-20Zha.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Mo–Zr system (40)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 2253 | peritectic: L + Mobcc -> Mo2Zr | L: Zr 0.42; Mobcc: Zr 0.18; Mo2Zr: Zr 0.333 | experimental | [1] Pérez 2003; _cites Rudy 1969_ | Table 1, p. 3, row 2; `ORC-Y2AHOEWCCS` |  |
| 2223 | peritectic: Liquid + Mo -> Mo2Zr (Peritectic) | Liquid: Zr 0.42; Mo2Zr: Mo 0.666667, Zr 0.333333 | model | [2] Zinkevich 2002; _cites Brewer 1980_ | Table 1, p. 3, row 6; `ORC-CZBUXXV3OA` |  |
| 2223 | peritectic: L + Mobcc -> Mo2Zr | Mo2Zr: Mo 0.666667, Zr 0.333333 | experimental | [1] Pérez 2003; _cites Petkov 1972_ | Table 1, p. 3, row 4; `ORC-QVBDZAHHKL` |  |
| 2223 | peritectic: L + Mobcc -> Mo2Zr | L: Zr 0.42; Mobcc: Zr 0.2; Mo2Zr: Mo 0.666667, Zr 0.333333 | model | [1] Pérez 2003; _cites Brewer 1980_ | Table 1, p. 3, row 6; `ORC-TMAUAML2DV` |  |
| 2223 | peritectic: Liquid + Mo -> Mo2Zr (Peritectic) | Mo2Zr: Mo 0.666667, Zr 0.333333 | experimental | [2] Zinkevich 2002; _cites Petkov 1972_ | Table 1, p. 3, row 5; `ORC-UZL27GUQ6B` |  |
| 2194 | peritectic: L + Mobcc -> Mo2Zr | L: Zr 0.457; Mobcc: Zr 0.098; Mo2Zr: Zr 0.335 | model | [1] Pérez 2003 | Table 1, p. 3, row 9; `ORC-GRHQ6Y3FLQ` |  |
| 2193 | peritectic: Liquid + Mo -> Mo2Zr (Peritectic) | Liquid: Zr 0.42; Mo: Zr 0.12; Mo2Zr: Zr 0.33 | experimental | [2] Zinkevich 2002; _cites Prima 1984_ | Table 1, p. 3, row 4; `ORC-FFZQCKXNVD` |  |
| 2193 | peritectic: L + Mobcc -> Mo2Zr | L: Zr 0.42; Mobcc: Zr 0.12; Mo2Zr: Zr 0.33 | unspecified | [1] Pérez 2003; _cites Prima 1984_ | Table 1, p. 3, row 7; `ORC-ND5PFPFBMN` |  |
| 2191 | peritectic: L + Mobcc -> Mo2Zr | L: Zr 0.46; Mobcc: Zr 0.06; Mo2Zr: Zr 0.333 | experimental | [1] Pérez 2003; _cites Garg 1977_ [doi](https://doi.org/10.1007/bf02661635) | Table 1, p. 3, row 5; `ORC-QRJCULA3SQ` |  |
| 2191 | peritectic: Liquid + Mo -> Mo2Zr (Peritectic) | Liquid: Zr 0.46; Mo: Zr 0.06; Mo2Zr: Zr 0.333 | experimental | [2] Zinkevich 2002; _cites Garg 1977_ [doi](https://doi.org/10.1007/bf02661635) | Table 1, p. 3, row 3; `ORC-W7MJXD5IDL` |  |
| 2188.4 | peritectic: Liquid + Mo -> Mo2Zr (Peritectic) | Liquid: Zr 0.4728; Mo: Zr 0.0661; Mo2Zr: Zr 0.3431 | model | [2] Zinkevich 2002 | Table 1, p. 3, row 7; `ORC-U566KNCLIF` |  |
| 2188 | peritectic: L + Mobcc -> Mo2Zr | L: Zr 0.47; Mobcc: Zr 0.066; Mo2Zr: Zr 0.343 | model | [1] Pérez 2003; _cites Zinkevich 2002_ [doi](https://doi.org/10.1361/1054971023604242) | Table 1, p. 3, row 8; `ORC-BK3ARPCZSA` |  |
| 2178 | peritectic: L + Mobcc -> Mo2Zr | L: Zr 0.42; Mobcc: Zr 0.1; Mo2Zr: Zr 0.32 | experimental | [1] Pérez 2003; _cites Svechnikov 1967_ | Table 1, p. 3, row 3; `ORC-HJOJPHQ4R4` |  |
| 2178 | peritectic: Liquid + Mo -> Mo2Zr (Peritectic) | Liquid: Zr 0.41; Mo: Zr 0.1; Mo2Zr: Zr 0.32 | experimental | [2] Zinkevich 2002; _cites Svechnikov 1967_ | Table 1, p. 3, row 2; `ORC-QCHUSRHX3D` |  |
| 2153 | peritectic: L + Mobcc -> Mo2Zr | L: Zr 0.43; Mo2Zr: Zr 0.3333 | experimental | [1] Pérez 2003; _cites Domagala 1953_ | Table 1, p. 3, row 1; `ORC-4UYDELH3NE` |  |
| 2153 | peritectic: Liquid + Mo -> Mo2Zr (Peritectic) | Liquid: Zr 0.43; Mo2Zr: Zr 0.3333 | experimental | [2] Zinkevich 2002; _cites Domagala 1953_ | Table 1, p. 3, row 1; `ORC-FOTPDXITOR` |  |
| 1868 | peritectic: L + Mo2Zr -> Zrbcc | L: Zr 0.68; Mo2Zr: Zr 0.34; Zrbcc: Zr 0.655 | experimental | [1] Pérez 2003; _cites Rudy 1969_ | Table 1, p. 3, row 10; `ORC-5QPF7ISUQ2` |  |
| 1849.1 | eutectic: Liquid -> bcc-Zr + Mo2Zr (Eutectic) | Liquid: Zr 0.7039; bcc-Zr: Zr 0.8193; Mo2Zr: Zr 0.3726 | model | [2] Zinkevich 2002 | Table 1, p. 3, row 12; `ORC-2UEAQW52WL` |  |
| 1849 | eutectic: L -> Zrbcc + Mo2Zr | L: Zr 0.704; Zrbcc: Zr 0.819; Mo2Zr: Zr 0.373 | model | [1] Pérez 2003; _cites Zinkevich 2002_ [doi](https://doi.org/10.1361/1054971023604242) | Table 1, p. 3, row 16; `ORC-4H2GVIKEED` |  |
| 1846 | peritectic: L + Mo2Zr -> Zrbcc | L: Zr 0.68; Mo2Zr: Mo 0.666667, Zr 0.333333; Zrbcc: Zr 0.68 | model | [1] Pérez 2003; _cites Brewer 1980_ | Table 1, p. 3, row 11; `ORC-XJ43R4MTZD` |  |
| 1825 | eutectic: L -> Zrbcc + Mo2Zr | L: Zr 0.717; Zrbcc: Zr 0.77; Mo2Zr: Zr 0.343 | model | [1] Pérez 2003 | Table 1, p. 3, row 17; `ORC-ZSHZNVFUZH` |  |
| 1824 | eutectic: L -> Zrbcc + Mo2Zr | L: Zr 0.71; Zrbcc: Zr 0.77; Mo2Zr: Zr 0.36 | experimental | [1] Pérez 2003; _cites Garg 1977_ [doi](https://doi.org/10.1007/bf02661635) | Table 1, p. 3, row 15; `ORC-HZOTY63IRD` |  |
| 1824 | eutectic: Liquid -> bcc-Zr + Mo2Zr (Eutectic) | Liquid: Zr 0.71; bcc-Zr: Zr 0.77; Mo2Zr: Zr 0.36 | experimental | [2] Zinkevich 2002; _cites Garg 1977_ [doi](https://doi.org/10.1007/bf02661635) | Table 1, p. 3, row 10; `ORC-WWOWLZCQTJ` |  |
| 1823 | eutectic: L -> Zrbcc + Mo2Zr | L: Zr 0.52; Zrbcc: Zr 0.59; Mo2Zr: Zr 0.37 | model | [1] Pérez 2003; _cites Kubaschewski_ | Table 1, p. 3, row 14; `ORC-LEXIU6KQH3` |  |
| 1823 | eutectic: Liquid -> bcc-Zr + Mo2Zr (Eutectic) | Liquid: Zr 0.52; bcc-Zr: Zr 0.59; Mo2Zr: Zr 0.37 | model | [2] Zinkevich 2002; _cites Kubaschewski 1976_ | Table 1, p. 3, row 11; `ORC-ZR7JWEJBWU` |  |
| 1793 | eutectic: L -> Zrbcc + Mo2Zr | L: Zr 0.7; Zrbcc: Zr 0.79; Mo2Zr: Zr 0.333 | experimental | [1] Pérez 2003; _cites Domagala 1953_ | Table 1, p. 3, row 12; `ORC-6ZKZDR3ZN6` |  |
| 1793 | eutectic: Liquid -> bcc-Zr + Mo2Zr (Eutectic) | Liquid: Zr 0.7; bcc-Zr: Zr 0.79; Mo2Zr: Zr 0.3333 | experimental | [2] Zinkevich 2002; _cites Domagala 1953_ | Table 1, p. 3, row 8; `ORC-EGUMVCJPLY` |  |
| 1773 | eutectic: L -> Zrbcc + Mo2Zr | L: Zr 0.64; Zrbcc: Zr 0.81; Mo2Zr: Zr 0.35 | experimental | [1] Pérez 2003; _cites Svechnikov 1967_ | Table 1, p. 3, row 13; `ORC-EKE4N5ADQE` |  |
| 1773 | eutectic: Liquid -> bcc-Zr + Mo2Zr (Eutectic) | Liquid: Zr 0.64; bcc-Zr: Zr 0.81; Mo2Zr: Zr 0.345 | experimental | [2] Zinkevich 2002; _cites Svechnikov 1967_ | Table 1, p. 3, row 9; `ORC-JC6KYETF3F` |  |
| 1053 | eutectoid: bcc-Zr -> cph-Zr + Mo2Zr (Eutectoid) | bcc-Zr: Zr 0.928; Mo2Zr: Zr 0.3333 | experimental | [2] Zinkevich 2002; _cites Domagala 1953_ | Table 1, p. 3, row 13; `ORC-5TZ4LGWZBE` |  |
| 1053 | eutectoid: Zrbcc -> Zrhcp + Mo2Zr | Zrbcc: Zr 0.925; Mo2Zr: Zr 0.333 | experimental | [1] Pérez 2003; _cites Domagala 1953_ | Table 1, p. 3, row 18; `ORC-TEJVJ2QHMF` |  |
| 1053 | eutectoid: Zrbcc -> Zrhcp + Mo2Zr | Zrbcc: Zr 0.928; Mo2Zr: Mo 0.666667, Zr 0.333333 | experimental | [1] Pérez 2003; _cites Rudy 1969_ | Table 1, p. 3, row 19; `ORC-XS3MU7UKHB` |  |
| 1050 | eutectoid: Zrbcc -> Zrhcp + Mo2Zr | Zrbcc: Zr 0.957; Zrhcp: Zr 0.9978; Mo2Zr: Zr 0.334 | model | [1] Pérez 2003 | Table 1, p. 3, row 24; `ORC-4CTID663M6` |  |
| 1011 | eutectoid: bcc-Zr -> cph-Zr + Mo2Zr (Eutectoid) | bcc-Zr: Zr 0.925; cph-Zr: Zr 0.998; Mo2Zr: Mo 0.666667, Zr 0.333333 | model | [2] Zinkevich 2002; _cites ref. 1984Bre_ | Table 1, p. 3, row 15; `ORC-2AA4RF4VQJ` |  |
| 1011 | eutectoid: Zrbcc -> Zrhcp + Mo2Zr | Mo2Zr: Mo 0.666667, Zr 0.333333 | experimental | [1] Pérez 2003; _cites Samsonov 1972_ | Table 1, p. 3, row 21; `ORC-4XAVYMJMT6` |  |
| 1011 | eutectoid: Zrbcc -> Zrhcp + Mo2Zr | Zrbcc: Zr 0.928; Mo2Zr: Mo 0.666667, Zr 0.333333 | model | [1] Pérez 2003; _cites Brewer 1980_ | Table 1, p. 3, row 22; `ORC-JCOPEMURXI` |  |
| 1003 | eutectoid: Zrbcc -> Zrhcp + Mo2Zr | Zrbcc: Zr 0.937; Zrhcp: Zr 0.9969; Mo2Zr: Zr 0.339 | model | [1] Pérez 2003; _cites Zinkevich 2002_ [doi](https://doi.org/10.1361/1054971023604242) | Table 1, p. 3, row 23; `ORC-S5XMUVLOEK` |  |
| 1002.7 | eutectoid: bcc-Zr -> cph-Zr + Mo2Zr (Eutectoid) | bcc-Zr: Zr 0.9307; cph-Zr: Zr 0.9969; Mo2Zr: Zr 0.3387 | model | [2] Zinkevich 2002 | Table 1, p. 3, row 16; `ORC-U2XUNYJJHK` |  |
| 903 | eutectoid: bcc-Zr -> cph-Zr + Mo2Zr (Eutectoid) | bcc-Zr: Zr 0.92; Mo2Zr: Mo 0.666667, Zr 0.333333 | experimental | [2] Zinkevich 2002; _cites Svechnikov 1967_ | Table 1, p. 3, row 14; `ORC-GKIZPXMBXH` |  |
| 903 | eutectoid: Zrbcc -> Zrhcp + Mo2Zr | Zrbcc: Zr 0.92; Mo2Zr: Mo 0.666667, Zr 0.333333 | experimental | [1] Pérez 2003; _cites Svechnikov 1967_ | Table 1, p. 3, row 20; `ORC-NIPBU3MRAE` |  |

## 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, Mo–Zr system (3)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| Mo2Zr (Laves_c15) |  | -13.48 kJ/mol-atom |  | DFT |  |  | [1] Pérez 2003 | Table 2, p. 7, row 3; `ORC-V6QHF6F7KM` |  |
| Mo2Zr (Laves_c15) | [Mo2Zr](https://data.orchid-project.org/compounds/Mo2Zr.html) | -9.3 kJ/mol-atom |  | model | -13.443 (mp-aaaaadav) | -13.282 (oqmd-17718) | [1] Pérez 2003; _cites Brewer 1980_ | Table 2, p. 7, row 1; `ORC-X3CLYRSF46` |  |
| Mo2Zr (Laves_c15) | [Mo2Zr](https://data.orchid-project.org/compounds/Mo2Zr.html) | -7.49 kJ/mol-atom | 298.15 | model | -13.443 (mp-aaaaadav) | -13.282 (oqmd-17718) | [1] Pérez 2003; _cites De 1988_ | Table 2, p. 7, row 2; `ORC-626JDV4I2M` |  |

## Sources

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

1. Rosa Jerlerud Pérez, Bo Sundman, Thermodynamic assessment of the Mo–Zr binary phase diagram, Calphad 27, 253-262 (2003). [doi:10.1016/j.calphad.2003.09.003](https://doi.org/10.1016/j.calphad.2003.09.003)
2. M. Zinkevich, N. Mattern, Thermodynamic assessment of the Mo-Zr system, JPE 23, 156-162 (2002). [doi:10.1361/1054971023604242](https://doi.org/10.1361/1054971023604242)

## 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/).