La–Zr system

0 accepted literature values from 0 paper(s); 3 calculated phase diagram(s).

Data: interactive phase diagram · phases (5) · papers (bibliography) · 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
LaZr-06Hal.tdb	B. Hallstedt 2006	`91cfbfdb7d7272117b0e421391329faa57b3c5dbdb26e500187a8a7633acd9dc`	viewer · TDB · JSON
LaZr-16Mat.tdb	N. Mattern, Y. Yokoyama, A. Mizuno, J.H. Han, O. Fabrichnaya, M. Richter, S. Kohara, Calphad, 52, 8-20(2016). doi:10.1016/j.calphad.2015.10.015	`4dc7f000bdc30b3d954391ccd3d1d395ceade3a14fed46a2f4a84646abbc6ea3`	viewer · TDB · JSON
LaZr-18Zhu.tdb	W.-F. Zhu, Q. Luo, J.-Y. Zhang, Q. Li, J. Alloys Compd., 731, 784-95(2018). doi:10.1016/j.jallcom.2017.10.013	`4bbebf2ac06417b8e23aae35033f41fa5171204dfaa4c3bd1833fdee4ebb864e`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
LaZr-06Hal.tdb	1948.28	LIQUID (x(Zr) 0.15213) + LIQUID#2 (x(Zr) 0.84787) + BCC_A2 (x(Zr) 0.99843)
LaZr-06Hal.tdb	1177.97	BCC_A2#2 (x(Zr) 4.000e-5) + LIQUID (x(Zr) 0.0083) + BCC_A2 (x(Zr) 0.99996)
LaZr-06Hal.tdb	1177.97	BCC_A2#2 (x(Zr) 4.000e-5) + LIQUID (x(Zr) 0.0083) + BCC_A2 (x(Zr) 0.99996)
LaZr-06Hal.tdb	1138.93	BCC_A2#2 (x(Zr) 3.000e-5) + BCC_A2 (x(Zr) 0.99997) + HCP_A3 (x(Zr) 1)
LaZr-06Hal.tdb	1138.93	BCC_A2 (x(Zr) 3.000e-5) + BCC_A2#2 (x(Zr) 0.99997) + HCP_A3 (x(Zr) 1)
LaZr-06Hal.tdb	1134	FCC_A1 (x(Zr) 0) + BCC_A2 (x(Zr) 0) + HCP_A3 (x(Zr) 1)
LaZr-06Hal.tdb	1133.96	FCC_A1 (x(Zr) 1.000e-5) + BCC_A2 (x(Zr) 2.000e-5) + HCP_A3 (x(Zr) 1)
LaZr-06Hal.tdb	1133.96	FCC_A1 (x(Zr) 1.000e-5) + BCC_A2 (x(Zr) 2.000e-5) + HCP_A3 (x(Zr) 1)
LaZr-06Hal.tdb	550	DHCP (x(Zr) 0) + FCC_A1 (x(Zr) 0) + HCP_A3 (x(Zr) 1)
LaZr-16Mat.tdb	1167.24	BCC_A2#2 (x(Zr) 0.00794) + LIQUID (x(Zr) 0.02239) + BCC_A2 (x(Zr) 0.99206)
LaZr-16Mat.tdb	1129.56	BCC_A2 (x(Zr) 0.00668) + BCC_A2#2 (x(Zr) 0.99332) + HCP_A3 (x(Zr) 0.99713)
LaZr-16Mat.tdb	1115.97	FCC_A1 (x(Zr) 7.700e-4) + BCC_A2 (x(Zr) 0.00622) + HCP_A3 (x(Zr) 0.99732)
LaZr-16Mat.tdb	550	FCC_A1 (x(Zr) 0) + DHCP (x(Zr) 0) + HCP_A3 (x(Zr) 0.99999)
LaZr-16Mat.tdb	550	DHCP (x(Zr) 0) + FCC_A1 (x(Zr) 0) + HCP_A3 (x(Zr) 0.99999)
LaZr-16Mat.tdb	550	FCC_A1 (x(Zr) 0) + DHCP (x(Zr) 0) + HCP_A3 (x(Zr) 0.99999)
LaZr-18Zhu.tdb	1173.07	BCC_A2#2 (x(Zr) 0.01522) + LIQUID (x(Zr) 0.02602) + BCC_A2 (x(Zr) 0.98478)
LaZr-18Zhu.tdb	1116.73	BCC_A2 (x(Zr) 0.01202) + BCC_A2#2 (x(Zr) 0.98798) + HCP_A3 (x(Zr) 0.99732)
LaZr-18Zhu.tdb	1100.28	FCC_A1 (x(Zr) 6.900e-4) + BCC_A2 (x(Zr) 0.01108) + HCP_A3 (x(Zr) 0.99753)
LaZr-18Zhu.tdb	550	FCC_A1 (x(Zr) 0) + DHCP (x(Zr) 0) + HCP_A3 (x(Zr) 0.99999)
LaZr-18Zhu.tdb	550	DHCP (x(Zr) 0) + FCC_A1 (x(Zr) 0) + HCP_A3 (x(Zr) 0.99999)
LaZr-18Zhu.tdb	550	FCC_A1 (x(Zr) 0) + DHCP (x(Zr) 0) + HCP_A3 (x(Zr) 0.99999)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull LaZr-06Hal · CALPHAD hull LaZr-16Mat

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-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi: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). 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; 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); the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work). 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_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}
}