4 accepted literature formation-enthalpy value(s) (experimental 1, model 3); experimental median -28.8 kJ/mol-atom (n = 1).
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). doi:10.5281/zenodo.23735569
R. Arróyave, J. Saal, D. Shin, ORCHID-Parity: DFT-vs-experiment formation-enthalpy benchmark (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735943
R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi: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); G. Kim, S. V. Meschel, P. Nash, W. Chen, Experimental formation enthalpies for intermetallic phases and other inorganic compounds, Scientific Data 4 (2017) 170162, https://doi.org/10.1038/sdata.2017.162; 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.
@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_dft_benchmark_2026,
author = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
title = {{ORCHID-Parity: DFT-vs-experiment formation-enthalpy benchmark}},
version = {2026.10},
publisher = {Zenodo},
year = {2026},
doi = {10.5281/zenodo.23735943},
url = {https://doi.org/10.5281/zenodo.23735943},
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}
}