Zr–O system

0 accepted literature values from 0 paper(s); 6 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
ZrO-01Lia-LB.tdb	P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). doi:10.1515/ijmr-2001-0140	`6186bf8ce3a9c3fe210f748397f72f0483dcef599f8290960986d150f24c4884`	viewer · TDB · JSON
ZrO-02Arr.tdb	R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). doi:10.1016/S0364-5916(02)00027-5	`7c8790ce3e67d37dccac94579acf4767052ae94a701e70bed96815804accc866`	viewer · TDB · JSON
ZrO-04Che.tdb	M. Chen, B. Hallstedt, L.J. Gauckler, Solid State Ionics, 170, 255-74(2004). doi:10.1016/j.ssi.2004.02.017	`4011828e6dc89604e5d422067db8f32a3b1a4408adfb39c28e0ad097313f7152`	viewer · TDB · JSON
ZrO-04Wan.tdb	C. Wang, M. Zinkevich, F. Aldinger, Calphad, 28, 281-92(2004). doi:10.1016/j.calphad.2004.09.002	`b2c2da28b0434ca0e2b914bd0da297304a8ab1f3de76fd0b96a37255dbd36470`	viewer · TDB · JSON
ZrO-23Jia.tdb	Y. Jiang, Y. He, W. Zheng, J. Zhang, D. Zhang, X. Lu, J. Nucl. Mater., 574, 154180(2023). doi:10.1016/j.jnucmat.2022.154180	`46c69c633d1f2a3d9e27bf33245a859706a1b699c771400741d5a0fc47d142fc`	viewer · TDB · JSON
ZrO-98Che.tdb	P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998). doi:10.1016/S0022-3115(98)00450-4	`96718081b90169291fb30c563956cdc4abf990dc9b5ba73f1711f476c89e4351`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
ZrO-01Lia-LB.tdb	2935.91	ZRO2_C1 (x(O) 0.66667) + ION (x(O) 0.66999) + GAS (x(O) 0.99998)
ZrO-01Lia-LB.tdb	2625.94	ZRO2_C1 (x(O) 0.66667) + ZRO2_TETR (x(O) 0.66667) + GAS (x(O) 1)
ZrO-01Lia-LB.tdb	2354.84	HCP_3ORD (x(O) 0.32055) + ION (x(O) 0.40207) + ZRO2_C1 (x(O) 0.61362)
ZrO-01Lia-LB.tdb	2241.01	ION (x(O) 0.08927) + BCC_A2 (x(O) 0.11818) + HCP_3ORD (x(O) 0.19413)
ZrO-01Lia-LB.tdb	1783.37	HCP_3ORD (x(O) 0.31356) + ZRO2_C1 (x(O) 0.63853) + ZRO2_TETR (x(O) 0.66667)
ZrO-01Lia-LB.tdb	1478	HCP_3ORD (x(O) 0.30325) + ZRO2_MONO (x(O) 0.66667) + ZRO2_TETR (x(O) 0.66667)
ZrO-01Lia-LB.tdb	1478	ZRO2_TETR (x(O) 0.66667) + ZRO2_MONO (x(O) 0.66667) + GAS (x(O) 1)
ZrO-02Arr.tdb	2718.64	ZRO2_C1 (x(O) 0.66667) + ION (x(O) 0.66667) + GAS (x(O) 1)
ZrO-02Arr.tdb	2594.32	ZRO2_C1 (x(O) 0.66667) + ZRO2_TETR (x(O) 0.66667) + GAS (x(O) 1)
ZrO-02Arr.tdb	2240.45	HCP_A3 (x(O) 0.29719) + ION (x(O) 0.39894) + ZRO2_C1 (x(O) 0.62437)
ZrO-02Arr.tdb	2178.24	BCC_A2 (x(O) 0.10277) + ION (x(O) 0.10751) + HCP_A3 (x(O) 0.21182)
ZrO-02Arr.tdb	1726.09	HCP_A3 (x(O) 0.29518) + ZRO2_C1 (x(O) 0.63289) + ZRO2_TETR (x(O) 0.66452)
ZrO-02Arr.tdb	1503.73	ZRO2_TETR (x(O) 0.66667) + ZRO2_MONO (x(O) 0.66667) + GAS (x(O) 1)
ZrO-02Arr.tdb	1465.32	HCP_A3 (x(O) 0.29203) + ZRO2_TETR (x(O) 0.66528) + ZRO2_MONO (x(O) 0.66664)
ZrO-02Arr.tdb	646.66	HCP_A3 (x(O) 0.27629) + ZR2O (x(O) 0.33333) + ZRO2_MONO (x(O) 0.66667)
ZrO-02Arr.tdb	544.52	ZR3O (x(O) 0.25) + HCP_A3 (x(O) 0.26461) + ZR2O (x(O) 0.33333)
ZrO-02Arr.tdb	337.14	ZR6O (x(O) 0.14286) + HCP_A3 (x(O) 0.22067) + ZR3O (x(O) 0.25)
ZrO-04Che.tdb	2983.63	FLUORITE_C1 (x(O) 0.66665) + ION (x(O) 0.66667) + GAS (x(O) 0.99994)
ZrO-04Che.tdb	2255.73	ION (x(O) 0.09922) + BCC_A2 (x(O) 0.10649) + HCP_A3 (x(O) 0.19119)
ZrO-04Wan.tdb	2986.18	FLUORITE_C1 (x(O) 0.66659) + ION (x(O) 0.66667) + GAS (x(O) 0.99995)
ZrO-04Wan.tdb	2344.79	HCP_A3 (x(O) 0.31017) + ION (x(O) 0.40136) + FLUORITE_C1 (x(O) 0.6167)
ZrO-04Wan.tdb	2240.95	ION (x(O) 0.09888) + BCC_A2 (x(O) 0.09949) + HCP_A3 (x(O) 0.19018)
ZrO-23Jia.tdb	2964.83	ZRO2_C1 (x(O) 0.66667) + LIQUID (x(O) 0.66941) + GAS (x(O) 0.99996)
ZrO-23Jia.tdb	2650.1	ZRO2_TETR (x(O) 0.66667) + ZRO2_C1 (x(O) 0.66667) + GAS (x(O) 1)
ZrO-23Jia.tdb	2384.22	HCP_A3 (x(O) 0.30942) + LIQUID (x(O) 0.36242) + ZRO2_C1 (x(O) 0.60342)
ZrO-23Jia.tdb	2240.73	LIQUID (x(O) 0.09153) + BCC_A2 (x(O) 0.0919) + HCP_A3 (x(O) 0.16005)
ZrO-23Jia.tdb	1692.89	HCP_A3 (x(O) 0.3156) + ZRO2_C1 (x(O) 0.62834) + ZRO2_TETR (x(O) 0.66667)
ZrO-23Jia.tdb	1477.99	ZRO2_TETR (x(O) 0.66667) + ZRO2_MONO (x(O) 0.66667) + GAS (x(O) 1)
ZrO-23Jia.tdb	1477.99	HCP_A3 (x(O) 0.30838) + ZRO2_MONO (x(O) 0.66667) + ZRO2_TETR (x(O) 0.66667)
ZrO-98Che.tdb	2978.18	LIQUID (x(O) 0.6694) + ZRO2_C1 (x(O) 0.67026) + GAS (x(O) 0.99996)
ZrO-98Che.tdb	2606.43	ZRO2_TETR (x(O) 0.66667) + ZRO2_C1 (x(O) 0.66885) + GAS (x(O) 1)
ZrO-98Che.tdb	2369.33	HCP_A3 (x(O) 0.31557) + LIQUID (x(O) 0.39698) + ZRO2_C1 (x(O) 0.61826)
ZrO-98Che.tdb	2240.73	LIQUID (x(O) 0.09153) + BCC_A2 (x(O) 0.0919) + HCP_A3 (x(O) 0.16005)
ZrO-98Che.tdb	1755.75	HCP_A3 (x(O) 0.31764) + ZRO2_C1 (x(O) 0.63739) + ZRO2_TETR (x(O) 0.66667)
ZrO-98Che.tdb	1477.99	HCP_A3 (x(O) 0.30838) + ZRO2_MONO (x(O) 0.66667) + ZRO2_TETR (x(O) 0.66667)
ZrO-98Che.tdb	1477.99	ZRO2_TETR (x(O) 0.66667) + ZRO2_MONO (x(O) 0.66667) + GAS (x(O) 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}
}