Fe–As system

0 accepted literature values from 0 paper(s); 2 calculated phase diagram(s).

Data: interactive phase diagram · Markdown

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.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
FeAs-08Ohn.tdb	M. Ohno, K. Yoh, J. Cryst. Growth, 310, 2751-59(2008). doi:10.1016/j.jcrysgro.2008.02.017	`ed9f68c0b96e5b3480714a38ce58c02a7052120fe6198777844e02a56f5079eb`	viewer · TDB · JSON
FeAs-94Pei-LB.tdb	B. Pei, B. Bjoerkman, B. Jansson, B. Sundman, Z. Metallkd., 85, 171-77(1994). doi:10.1515/ijmr-1994-850304	`24c905685b77bd98751ad0c1891869d81adfe67b3057b6d534e99e4ef7a6ba2c`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
FeAs-08Ohn.tdb	1265.6	FEAS_B31 (x(As) 0.5) + LIQUID (x(As) 0.55526) + FEAS2_C18 (x(As) 0.66667)
FeAs-08Ohn.tdb	1265.6	FEAS_B31 (x(As) 0.5) + LIQUID (x(As) 0.55495) + FEAS2_C18 (x(As) 0.66667)
FeAs-08Ohn.tdb	1265.6	FEAS_B31 (x(As) 0.5) + LIQUID (x(As) 0.5554) + FEAS2_C18 (x(As) 0.66667)
FeAs-08Ohn.tdb	1226.4	LIQUID (x(As) 0.41026) + FE3AS2 (x(As) 0.42149) + FEAS_B31 (x(As) 0.5)
FeAs-08Ohn.tdb	1177.14	FE2AS_C38 (x(As) 0.33333) + LIQUID (x(As) 0.35258) + FE3AS2 (x(As) 0.40941)
FeAs-08Ohn.tdb	1177.14	FE2AS_C38 (x(As) 0.33333) + LIQUID (x(As) 0.35241) + FE3AS2 (x(As) 0.40935)
FeAs-08Ohn.tdb	1120.65	BCC_A2 (x(As) 0.09849) + LIQUID (x(As) 0.24932) + FE2AS_C38 (x(As) 0.33333)
FeAs-08Ohn.tdb	1120.65	BCC_A2 (x(As) 0.09844) + LIQUID (x(As) 0.24928) + FE2AS_C38 (x(As) 0.33333)
FeAs-08Ohn.tdb	1101.84	FE2AS_C38 (x(As) 0.33333) + FE3AS2 (x(As) 0.41796) + FEAS_B31 (x(As) 0.5)
FeAs-08Ohn.tdb	1075.45	FEAS2_C18 (x(As) 0.66667) + LIQUID (x(As) 0.97293) + RHOMBOHEDRAL_A7 (x(As) 1)
FeAs-08Ohn.tdb	1075.45	FEAS2_C18 (x(As) 0.66667) + LIQUID (x(As) 0.97294) + RHOMBOHEDRAL_A7 (x(As) 1)
FeAs-94Pei-LB.tdb	1271.37	FEAS_B31 (x(As) 0.5) + ION (x(As) 0.58776) + FEAS2_C18 (x(As) 0.66667)
FeAs-94Pei-LB.tdb	1249.91	ION (x(As) 0.40805) + FE3AS2 (x(As) 0.41849) + FEAS_B31 (x(As) 0.5)
FeAs-94Pei-LB.tdb	1196.67	FE2AS_C38 (x(As) 0.33333) + ION (x(As) 0.35362) + FE3AS2 (x(As) 0.39877)
FeAs-94Pei-LB.tdb	1118.55	BCC_A2 (x(As) 0.09629) + ION (x(As) 0.25074) + FE2AS_C38 (x(As) 0.33333)
FeAs-94Pei-LB.tdb	1096.12	FE2AS_C38 (x(As) 0.33333) + FE3AS2 (x(As) 0.39708) + FEAS_B31 (x(As) 0.5)
FeAs-94Pei-LB.tdb	1077.52	FEAS2_C18 (x(As) 0.66667) + ION (x(As) 0.9587) + RHOMBOHEDRAL_A7 (x(As) 1)

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
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 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; 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). 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_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_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}
}