# Pb–Te system

> Pb–Te system: 41 accepted literature values (formation 22, invariant reaction 12, phase transition 7) and 5 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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

41 accepted literature values from 4 paper(s) (experimental 17, model 12, DFT 12); 5 calculated phase diagram(s). 1 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/PB-TE.json) · [CSV](https://data.orchid-project.org/systems/PB-TE.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#PB-TE) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#PB-TE/PbTe-09Gie.json) · [phases (7)](https://data.orchid-project.org/phases/pages/PB-TE.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/PB-TE.html) · [Markdown](https://data.orchid-project.org/systems/PB-TE.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 17 |
| model | 12 |
| DFT | 12 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 12 |
| phase transition | 7 |
| formation | 22 |

## 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 |
|---|---|---|---|
| PbTe-09Gie.tdb | W. Gierlotka, J. Lapsa, D. Jendrzejczyk-Handzlik, J. Alloys Compd., 479, 152-56(2009). [doi:10.1016/j.jallcom.2008.12.083](https://doi.org/10.1016/j.jallcom.2008.12.083) | `1d05106b6376c8f0518d08cd839cb130cbe42eee8d0581a278be2e06a8caaebe` | [viewer](https://orchid-project.org/phase-diagrams/#PB-TE/PbTe-09Gie.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/PbTe-09Gie.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/PbTe-09Gie.json) |
| PbTe-09Liu.tdb | Y. Liu, L. Zhang, D. Yu, J. Electron. Mater., 38, 2033-45(2009). [doi:10.1007/s11664-009-0875-3](https://doi.org/10.1007/s11664-009-0875-3) | `edccadcbcc684b2ccf2987be877f25a86d8a589b6baadd46eb6cc09603d971d7` | [viewer](https://orchid-project.org/phase-diagrams/#PB-TE/PbTe-09Liu.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/PbTe-09Liu.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/PbTe-09Liu.json) |
| PbTe-10Gie.tdb | W. Gierlotka, J. Lapsa, K. Fitzner, J. Phase Equilib. Diffus., 31, 509-17(2010). [doi:10.1007/s11669-010-9791-8](https://doi.org/10.1007/s11669-010-9791-8) | `ffb7d7dfb04a30b6275e887df22917c9ee4304354d89528bb8f39555904a5ef7` | [viewer](https://orchid-project.org/phase-diagrams/#PB-TE/PbTe-10Gie.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/PbTe-10Gie.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/PbTe-10Gie.json) |
| PbTe-15Baj.tdb | S. Bajaj, G.S. Pomrehn, J.W. Doak, W. Gierlotka, H.-J. Wu, S.-W. Chen, C. Wolverton, W.A. Goddard, G.J. Snyder, Acta Mater., 92, 72-80(2015). [doi:10.1016/j.actamat.2015.03.034](https://doi.org/10.1016/j.actamat.2015.03.034) | `e1bad0890740970fccdf61400eb9f401868fe63e11aaf03b51fafb6ba4fd9675` | [viewer](https://orchid-project.org/phase-diagrams/#PB-TE/PbTe-15Baj.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/PbTe-15Baj.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/PbTe-15Baj.json) |
| PbTe-86Kat.tdb | U. Kattner, H.L. Lukas, G. Petzow, Calphad, 10, 103-16(1986). [doi:10.1016/0364-5916(86)90015-5](https://doi.org/10.1016/0364-5916%2886%2990015-5) | `c309772d299befd6ebe5c7ec98f85ee6598d06cbe6d33b578b1772d0c2e4dfb1` | [viewer](https://orchid-project.org/phase-diagrams/#PB-TE/PbTe-86Kat.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/PbTe-86Kat.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/PbTe-86Kat.json) |

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

| TDB file | T (K) | Phases at the invariant |
|---|---:|---|
| PbTe-09Gie.tdb | 689.29 | PBTE_B1 (x(Te) 0.5001) + ION (x(Te) 0.89736) + HEXAGONAL_A8 (x(Te) 1) |
| PbTe-09Gie.tdb | 600.06 | FCC_A1 (x(Te) 0) + ION (x(Te) 8.700e-4) + PBTE_B1 (x(Te) 0.5) |
| PbTe-09Liu.tdb | 686.83 | PBTE_B1 (x(Te) 0.5) + LIQUID (x(Te) 0.88898) + HEXAGONAL_A8 (x(Te) 1) |
| PbTe-09Liu.tdb | 599.8 | FCC_A1 (x(Te) 0) + LIQUID (x(Te) 0.00131) + PBTE_B1 (x(Te) 0.5) |
| PbTe-10Gie.tdb | 702.56 | PBTE_B1 (x(Te) 0.5) + LIQUID (x(Te) 0.93064) + HEXAGONAL_A8 (x(Te) 1) |
| PbTe-10Gie.tdb | 600.2 | FCC_A1 (x(Te) 0) + LIQUID (x(Te) 6.600e-4) + PBTE_B1 (x(Te) 0.5) |
| PbTe-15Baj.tdb | 690.98 | PBTE_B1 (x(Te) 0.50007) + LIQUID (x(Te) 0.90978) + HEXAGONAL_A8 (x(Te) 1) |
| PbTe-15Baj.tdb | 600.36 | FCC_A1 (x(Te) 0) + LIQUID (x(Te) 4.000e-4) + PBTE_B1 (x(Te) 0.5) |
| PbTe-86Kat.tdb | 689.06 | PBTE_B1 (x(Te) 0.50004) + LIQUID (x(Te) 0.89278) + HEXAGONAL_A8 (x(Te) 1) |
| PbTe-86Kat.tdb | 600.02 | FCC_A1 (x(Te) 0) + LIQUID (x(Te) 9.500e-4) + PBTE_B1 (x(Te) 0.5) |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/PB/PB-TE.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/PB/PB-TE.json) · [CALPHAD hull PbTe-09Gie](https://data.orchid-project.org/hulls/calphad-sgte/PB/PB-TE--PbTe-09Gie.json) · [CALPHAD hull PbTe-09Liu](https://data.orchid-project.org/hulls/calphad-sgte/PB/PB-TE--PbTe-09Liu.json) · [CALPHAD hull PbTe-10Gie](https://data.orchid-project.org/hulls/calphad-sgte/PB/PB-TE--PbTe-10Gie.json) · [CALPHAD hull PbTe-86Kat](https://data.orchid-project.org/hulls/calphad-sgte/PB/PB-TE--PbTe-86Kat.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Pb–Te system (12)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 689.3 | eutectic: L -> PbTe + HEXAGONAL_A8 | L: Te 0.8974; PbTe: Te 0.5; HEXAGONAL_A8: Te 1 | model | [1] Gierlotka 2009 | Table 3, p. 4, row 3; `ORC-T2X4BKG7V6` |  |
| 689.29 | eutectic: Te-rich eutectic | L: Te 0.8926; PbTe: Te 0.5; (Te): Te 1 | model | [2] Kattner 1986 | Table 5, p. 11, row 3; `ORC-Z3DN54ADAP` |  |
| 686.6 | liq \<-> hex + PbTe | L: Te 0.89; hex: Te 1; PbTe: Te 0.5 | model | [3] Liu 2009 | Table V, p. 9, row 8; `ORC-SLT66U6JE7` |  |
| 686 | liq \<-> hex + PbTe | L: Te 0.893; hex: Te 1; PbTe: Te 0.5 | experimental | [3] Liu 2009; _cites Moniri 1978_ | Table V, p. 9, row 11; `ORC-JOV6YA2RN4` |  |
| 685 | liq \<-> hex + PbTe | L: Te 0.837; hex: Te 1; PbTe: Te 0.5 | experimental | [3] Liu 2009; _cites Kimura 1915_ | Table V, p. 9, row 9; `ORC-SON4PCDPUV` |  |
| 684 | liq \<-> hex + PbTe | L: Te 0.8913; hex: Te 1; PbTe: Te 0.5 | experimental | [3] Liu 2009; _cites Ngai 1987_ [doi](https://doi.org/10.1007/bf00809938) | Table V, p. 9, row 12; `ORC-4VEOY77AYX` |  |
| 673 | liq \<-> hex + PbTe | L: Te 0.852; hex: Te 1; PbTe: Te 0.5 | experimental | [3] Liu 2009; _cites Fay 1902_ | Table V, p. 9, row 13; `ORC-YXHYMEPAIR` |  |
| 651 | liq \<-> hex + PbTe | L: Te 0.82; hex: Te 1; PbTe: Te 0.5 | experimental | [3] Liu 2009; _cites Lugscheider 1965_ [doi](https://doi.org/10.1515/ijmr-1965-561207) | Table V, p. 9, row 10; `ORC-DANEL4ZEIB` |  |
| 600.1 | eutectic: L -> PbTe + FCC_A1 | L: Te 8.735e-4; PbTe: Te 0.5; FCC_A1: Te 0 | model | [1] Gierlotka 2009 | Table 3, p. 4, row 1; `ORC-6JKBM4ZSNY` |  |
| 600.06 | eutectic: Pb-rich eutectic | L: Te 0.001; (Pb): Te 1.000e-4; PbTe: Te 0.5 | model | [2] Kattner 1986 | Table 5, p. 11, row 2; `ORC-MD6G7ZA54T` |  |
| 599.8 | liq \<-> Pb + PbTe | L: Te 0.04; Pb: Te 0; PbTe: Te 0.5 | experimental | [3] Liu 2009; _cites Greenwood 1939_ | Table V, p. 9, row 2; `ORC-F2SHVLD336` |  |
| 599.8 | liq \<-> Pb + PbTe | L: Te 0.00132; Pb: Te 0; PbTe: Te 0.5 | model | [3] Liu 2009 | Table V, p. 9, row 1; `ORC-HHYFFDZYWS` |  |

## 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, Pb–Te system (10)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| PbTe |  | -47.2 kJ/mol (basis unstated) | 737 | experimental |  |  | [1] Gierlotka 2009; _cites Castanet 1972_ | Table 4, p. 5, row 5; `ORC-EH56QZYTLP` |  |
| PbTe | [PbTe](https://data.orchid-project.org/compounds/PbTe.html) | -36.05 kJ/mol-atom | 298.15 | experimental | -39.148 (mp-aaaabdej) | -39.511 (oqmd-1856648) | [3] Liu 2009; _cites Castanet 1972_ | Table IV, p. 9, row 3; `ORC-MWOCPT64QD` |  |
| PbTe | [PbTe](https://data.orchid-project.org/compounds/PbTe.html) | -35.15 kJ/mol-atom | 298.15 | experimental | -39.148 (mp-aaaabdej) | -39.511 (oqmd-1856648) | [3] Liu 2009; _cites McAteer 1936_ [doi](https://doi.org/10.1021/ja01302a002) | Table IV, p. 9, row 1; `ORC-O72NGXRE2T` |  |
| PbTe |  | -35.146 kJ/mol (basis unstated) | 298.15 | experimental |  |  | [1] Gierlotka 2009; _cites Hirayama 1964_ [doi](https://doi.org/10.1021/je60020a019) | Table 4, p. 5, row 2; `ORC-SKBLF2RDFS` |  |
| PbTe | [PbTe](https://data.orchid-project.org/compounds/PbTe.html) | -34.4 kJ/mol-atom | 298.15 | model | -39.148 (mp-aaaabdej) | -39.511 (oqmd-1856648) | [3] Liu 2009 | Table IV, p. 9, row 4; `ORC-KVLT4TSY4A` |  |
| PbTe | [PbTe](https://data.orchid-project.org/compounds/PbTe.html) | -34.3 kJ/mol-atom | 298.15 | experimental | -39.148 (mp-aaaabdej) | -39.511 (oqmd-1856648) | [3] Liu 2009; _cites Robinson 1966_ | Table IV, p. 9, row 2; `ORC-AIHG5W6NQB` |  |
| PbTe |  | -34.267 kJ/mol (basis unstated) | 273 | experimental |  |  | [1] Gierlotka 2009; _cites Robinson 1966_ | Table 4, p. 5, row 4; `ORC-LE4BQX6TZO` |  |
| PbTe |  | -32.532 kJ/mol (basis unstated) | 298.15 | model |  |  | [1] Gierlotka 2009 | Table 4, p. 5, row 1; `ORC-GX24ALHEMN` |  |
| PbTe |  | -32.532 kJ/mol (basis unstated) | 298.15 | model |  |  | [1] Gierlotka 2009 | p. 5; `ORC-UNEVKCBZOW` | “Calculated enthalpy of formation of PbTe intermetallic compound at 298 K is equal -32532 J/mol which shows very good agreement with the values reported in the literature.” |
| PbTe |  | -23.809 kJ/mol (basis unstated) | 295 | experimental |  |  | [1] Gierlotka 2009; _cites Fabre 1887_ | Table 4, p. 5, row 3; `ORC-QXUBI36URW` |  |

## Other properties

### Phase transition (7)

Table: Phase transition, Pb–Te system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Phase transition | 1177 K | 1177 | liq \<-> PbTe; _L: Te 0.5; PbTe: Te 0.5_ | experimental | [3] Liu 2009; _cites Kimura 1915_ | Table V, p. 9, row 4; `ORC-2D2DXJ75TR` |  |
| Phase transition | 1187 K | 1187 | liq \<-> PbTe; _L: Te 0.5; PbTe: Te 0.5_ | experimental | [3] Liu 2009; _cites Lugscheider 1965_ [doi](https://doi.org/10.1515/ijmr-1965-561207) | Table V, p. 9, row 5; `ORC-YHIAOLVPQY` |  |
| Phase transition | 1190 K | 1190 | liq \<-> PbTe; _L: Te 0.5; PbTe: Te 0.5_ | experimental | [3] Liu 2009; _cites Fay 1902_ | Table V, p. 9, row 7; `ORC-JFVTYA26KG` |  |
| Phase transition | 1192 K | 1192 | liq \<-> PbTe; _L: Te 0.5; PbTe: Te 0.5_ | model | [3] Liu 2009 | Table V, p. 9, row 3; `ORC-PE6EUGZCUC` |  |
| Phase transition | 1195 K | 1195 | L -> PbTe; _L: Te 0.5; PbTe: Te 0.5_ | model | [1] Gierlotka 2009 | Table 3, p. 4, row 2; `ORC-35EVUDFLO2` |  |
| Phase transition | 1195.89 K | 1195.89 | congruent melting: Congruent melting point of PbTe; _PbTe: Te 0.5001_ | model | [2] Kattner 1986 | Table 5, p. 11, row 1; `ORC-QQS6QLJXSX` |  |
| Phase transition | 1197 K | 1197 | liq \<-> PbTe; _L: Te 0.5; PbTe: Te 0.5_ | experimental | [3] Liu 2009; _cites Miller 1966_ | Table V, p. 9, row 6; `ORC-IV7FOTCHJS` |  |

### Formation (12)

Table: Formation, Pb–Te system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| defect formation energy; _printed: ΔHd,q_ | 2.71 eV/defect | 300 | PbTe; _alloy: Te 1_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 5; `ORC-7SOG4AU5RE` |  |
| defect formation energy; _printed: ΔHd,q_ | 0.35 eV/defect | 300 | PbTe; _alloy: Te 0.5_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 7; `ORC-AZJHBJHAL2` |  |
| defect formation energy; _printed: ΔHd,q_ | 0.72 eV/defect | 300 | PbTe; _alloy: Te 0.5_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 1; `ORC-C2FFFPOLG4` |  |
| defect formation energy; _printed: ΔHd,q_ | 1.32 eV/defect | 300 | PbTe; _alloy: Te 0.5_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 9; `ORC-I4BMLHPMCG` |  |
| defect formation energy; _printed: ΔHd,q_ | 1.49 eV/defect | 300 | PbTe; _alloy: Te 0_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 4; `ORC-IZBWKP26AO` |  |
| defect formation energy; _printed: ΔHd,q_ | 2.04 eV/defect | 300 | PbTe; _alloy: Te 0_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 10; `ORC-KAGKYZDHM6` |  |
| defect formation energy; _printed: ΔHd,q_ | 3.29 eV/defect | 300 | PbTe; _alloy: Te 0_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 12; `ORC-MW4B7TLBWP` |  |
| defect formation energy; _printed: ΔHd,q_ | 0.95 eV/defect | 300 | PbTe; _alloy: Te 0.5_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 2; `ORC-OUCFKEDWEO` |  |
| defect formation energy; _printed: ΔHd,q_ | 3.73 eV/defect | 300 | PbTe; _alloy: Te 1_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 6; `ORC-OYYN7S5JUO` |  |
| defect formation energy; _printed: ΔHd,q_ | 0.87 eV/defect | 300 | PbTe; _alloy: Te 1_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 8; `ORC-SA6SBCITUO` |  |
| defect formation energy; _printed: ΔHd,q_ | 1.44 eV/defect | 300 | PbTe; _alloy: Te 0_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 3; `ORC-ZICNHNBTB4` |  |
| defect formation energy; _printed: ΔHd,q_ | 2.78 eV/defect | 300 | PbTe; _alloy: Te 1_ | DFT | [4] Bajaj 2015 | Table 1, p. 6, row 11; `ORC-ZQEVCVKZC2` |  |

## Sources

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

1. Wojciech Gierlotka, Joanna Łapsa, Dominika Jendrzejczyk-Handzlik, Thermodynamic description of the Pb–Te system using ionic liquid model, Journal of Alloys and Compounds 479, 152-156 (2009). [doi:10.1016/j.jallcom.2008.12.083](https://doi.org/10.1016/j.jallcom.2008.12.083)
2. U. Kattner, H.L. Lukas, G. Petzow, Optimization and calculation of the PB — TE system, Calphad 10, 103-116 (1986). [doi:10.1016/0364-5916(86)90015-5](https://doi.org/10.1016/0364-5916%2886%2990015-5)
3. Yajun Liu, Lijun Zhang, Di Yu, Thermodynamic Descriptions for the Cd-Te, Pb-Te, Cd-Pb and Cd-Pb-Te Systems, Journal of Elec Materi 38, 2033-2045 (2009). [doi:10.1007/s11664-009-0875-3](https://doi.org/10.1007/s11664-009-0875-3)
4. Saurabh Bajaj, Gregory S. Pomrehn, Jeff W. Doak, Wojciech Gierlotka, Hsin-jay Wu, Sinn-Wen Chen et al., Ab initio study of intrinsic point defects in PbTe: an insight into phase stability, Acta Materialia 92, 72-80 (2015). [doi:10.1016/j.actamat.2015.03.034](https://doi.org/10.1016/j.actamat.2015.03.034)

## 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/).