Zr–H system

0 accepted literature values from 0 paper(s); 5 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
ZrH-00Koe.tdb	E. Koenigsberger, G. Eriksson, W.A. Oates, J. Alloys Compd., 299, 148-52(2000).	`23c58370af85eba9cc4ddd2547a69627e453fe1521813b388b7279c36981efc9`	viewer · TDB · JSON
ZrH-07Uki.tdb	S. Ukita, H. Ohtani, M. Hasebe, J. Jpn. Inst. Met., 71, 721-29(2007). doi:10.2320/jinstmet.71.721	`c0bd52c6c65b1eaed526d81a0955417a743df8a22c6201a4b02b1be28ff00af3`	viewer · TDB · JSON
ZrH-12Zho.tdb	Y. Zhong, D.D. MacDonald, J. Nucl. Mater., 423, 87-92(2012). doi:10.1016/j.jnucmat.2012.01.016	`401184aee95cbcb40db2887712a9125e36075a7ca8e8a43d3cd0b74c1a4f32a2`	viewer · TDB · JSON
ZrH-97Ans-LB.tdb	I. Ansara, N. Dupin, unpublished, 1997. doi:10.1016/S0925-8388(96)02652-7	`f302dce07f653afb757c127f1dce97a731f04827596bf0b32274d10d938b3dc5`	viewer · TDB · JSON
ZrH-99Dup.tdb	N. Dupin, I. Ansara, C. Servant, C. Toffolon, C. Lemaignan, J.C. Brachet, J. Nucl. Mater., 275, 287-95(1999). doi:10.1016/S0022-3115(99)00125-7	`d6349b2a6af2356afde2c1a4626e03fd650441ef5c8d16ba6229fc445ffcbe2f`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
ZrH-00Koe.tdb	2208.08	LIQUID (x(H) 0) + BCC_A2 (x(H) 0.04199) + GAS (x(H) 1)
ZrH-00Koe.tdb	1139.16	BCC_A2 (x(H) 0.51533) + FCC_A1 (x(H) 0.59632) + GAS (x(H) 1)
ZrH-00Koe.tdb	818.33	HCP_A3 (x(H) 0.05771) + BCC_A2 (x(H) 0.32748) + FCC_A1 (x(H) 0.57417)
ZrH-07Uki.tdb	2264.88	LIQUID (x(H) 0) + BCC_A2 (x(H) 0.06326) + GAS (x(H) 1)
ZrH-07Uki.tdb	1931.25	LIQUID (x(H) 0) + HCP_A3 (x(H) 0) + BCC_A2 (x(H) 0)
ZrH-07Uki.tdb	1146.15	BCC_A2 (x(H) 0.51835) + FCC_A1 (x(H) 0.59334) + GAS (x(H) 1)
ZrH-07Uki.tdb	974.35	FCC_A1 (x(H) 0.64176) + ZRH2_L2B (x(H) 0.66231) + GAS (x(H) 1)
ZrH-07Uki.tdb	974.35	FCC_A1 (x(H) 0.64176) + ZRH2_L2B (x(H) 0.66231) + H2GAS (x(H) 1)
ZrH-07Uki.tdb	835.13	HCP_A3 (x(H) 0.05684) + BCC_A2 (x(H) 0.35365) + FCC_A1 (x(H) 0.56381)
ZrH-07Uki.tdb	526.78	HCP_A3 (x(H) 0.00381) + ZRH_B17 (x(H) 0.5) + FCC_A1 (x(H) 0.5929)
ZrH-12Zho.tdb	2276.68	LIQUID (x(H) 0) + BCC_A2 (x(H) 0.06707) + GAS (x(H) 1)
ZrH-12Zho.tdb	1141.24	BCC_A2 (x(H) 0.5371) + FCC_A1 (x(H) 0.59829) + GAS (x(H) 1)
ZrH-12Zho.tdb	1074.29	FCC_A1 (x(H) 0.62326) + ZRH2_L2B (x(H) 0.64832) + GAS (x(H) 1)
ZrH-12Zho.tdb	1074.29	FCC_A1 (x(H) 0.62326) + ZRH2_L2B (x(H) 0.64832) + H2GAS (x(H) 1)
ZrH-12Zho.tdb	806.42	HCP_A3 (x(H) 0.05066) + BCC_A2 (x(H) 0.33038) + FCC_A1 (x(H) 0.58064)
ZrH-12Zho.tdb	522.95	HCP_A3 (x(H) 0.00221) + ZRH_B17 (x(H) 0.5) + FCC_A1 (x(H) 0.60283)
ZrH-97Ans-LB.tdb	2270.35	LIQUID (x(H) 0.00505) + BCC_A2 (x(H) 0.06846) + GAS (x(H) 1)
ZrH-97Ans-LB.tdb	1141.16	BCC_A2 (x(H) 0.53717) + ZRH2_C1 (x(H) 0.59833) + GAS (x(H) 1)
ZrH-97Ans-LB.tdb	1073.82	ZRH2_C1 (x(H) 0.62339) + ZRH2_L2B (x(H) 0.64854) + GAS (x(H) 1)
ZrH-97Ans-LB.tdb	1073.82	ZRH2_C1 (x(H) 0.62339) + ZRH2_L2B (x(H) 0.64854) + H2GAS (x(H) 1)
ZrH-97Ans-LB.tdb	822.32	HCP_A3 (x(H) 0.05606) + BCC_A2 (x(H) 0.31558) + ZRH2_C1 (x(H) 0.57868)
ZrH-99Dup.tdb	2278.77	LIQUID (x(H) 0) + BCC_A2 (x(H) 0.06783) + GAS (x(H) 1)
ZrH-99Dup.tdb	1141.16	BCC_A2 (x(H) 0.53717) + FCC_A1 (x(H) 0.59833) + GAS (x(H) 1)
ZrH-99Dup.tdb	1069.9	FCC_A1 (x(H) 0.62443) + ZRH2_L2B (x(H) 0.65034) + GAS (x(H) 1)
ZrH-99Dup.tdb	1069.9	FCC_A1 (x(H) 0.62443) + ZRH2_L2B (x(H) 0.65034) + H2GAS (x(H) 1)
ZrH-99Dup.tdb	822.32	HCP_A3 (x(H) 0.05606) + BCC_A2 (x(H) 0.31558) + FCC_A1 (x(H) 0.57868)

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}
}