Mo–Zr system

43 accepted literature values from 2 paper(s) (experimental 23, model 18, DFT 1, unspecified 1); 4 calculated phase diagram(s). 8 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (7) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	23
model	18
DFT	1
unspecified	1

Accepted values by property group
Property group	Values
invariant reaction	40
formation	3

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
MoZr-02Zin.tdb	M. Zinkevich, N. Mattern, J. Phase Equilib., 23, 156-62(2002). doi:10.1361/1054971023604242	`ee25c91ae357c469010f96b1010fefd51a8acb6f13ec155045a5a3c8139edd9d`	viewer · TDB · JSON
MoZr-03Jer-LB.tdb	R. Jerlerud Perez, B. Sundman, Calphad, 27, 253-62(2003). doi:10.1016/j.calphad.2003.09.003	`cc90f5904fa89fd4adaa1966470564e2fcbd0835e7a903633a0462cd9fe77012`	viewer · TDB · JSON
MoZr-20Jia.tdb	C. Jiang, R.D. Mariani, C.A. Adkins, Materialia, 10, 100701(2020). doi:10.1016/j.mtla.2020.100701	`3010bc0a3e13c7e8d07b74c1446a7facffba2e27ffcf270d3b2f14f9520e7d14`	viewer · TDB · JSON
MoZr-20Zha.tdb	R. Zhao, J. Wang, H. Yuan, B. Hu, Y. Du, Z. Tan, Calphad, 69, 101766(2020). doi:10.1016/j.calphad.2020.101766	`0ab607d182d6f8458e608696e5bf43c127b19dc0e128100ce079983330ac6870`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
MoZr-02Zin.tdb	2188.4	BCC_A2 (x(Zr) 0.06608) + C15_LAVES (x(Zr) 0.34314) + LIQUID (x(Zr) 0.47285)
MoZr-02Zin.tdb	1849.07	C15_LAVES (x(Zr) 0.37257) + LIQUID (x(Zr) 0.70394) + BCC_A2 (x(Zr) 0.81928)
MoZr-02Zin.tdb	1002.73	C15_LAVES (x(Zr) 0.33875) + BCC_A2 (x(Zr) 0.93074) + HCP_A3 (x(Zr) 0.99686)
MoZr-03Jer-LB.tdb	2194.21	BCC_A2 (x(Zr) 0.09801) + C15_LAVES (x(Zr) 0.33476) + LIQUID (x(Zr) 0.45745)
MoZr-03Jer-LB.tdb	1824.95	C15_LAVES (x(Zr) 0.34335) + LIQUID (x(Zr) 0.71726) + BCC_A2 (x(Zr) 0.76942)
MoZr-03Jer-LB.tdb	1050.21	C15_LAVES (x(Zr) 0.33426) + BCC_A2 (x(Zr) 0.95731) + HCP_A3 (x(Zr) 0.99788)
MoZr-20Jia.tdb	2190.17	BCC_A2 (x(Zr) 0.06243) + C15_LAVES (x(Zr) 0.34114) + LIQUID (x(Zr) 0.45973)
MoZr-20Jia.tdb	1825.23	C15_LAVES (x(Zr) 0.35428) + LIQUID (x(Zr) 0.71082) + BCC_A2 (x(Zr) 0.7701)
MoZr-20Jia.tdb	1037.21	C15_LAVES (x(Zr) 0.33876) + BCC_A2 (x(Zr) 0.95974) + HCP_A3 (x(Zr) 1)
MoZr-20Jia.tdb	1037.21	C15_LAVES (x(Zr) 0.33875) + BCC_A2 (x(Zr) 0.95979) + HCP_A3 (x(Zr) 1)
MoZr-20Zha.tdb	2931.37	HCP_A3 (x(Zr) 1) + LIQUID (x(Zr) 1) + BCC_A2 (x(Zr) 1)
MoZr-20Zha.tdb	2164.48	BCC_A2 (x(Zr) 0.09481) + C15_LAVES (x(Zr) 0.33618) + LIQUID (x(Zr) 0.46199)
MoZr-20Zha.tdb	1825.2	C15_LAVES (x(Zr) 0.34037) + LIQUID (x(Zr) 0.70303) + BCC_A2 (x(Zr) 0.78441)
MoZr-20Zha.tdb	1047.37	C15_LAVES (x(Zr) 0.33382) + BCC_A2 (x(Zr) 0.95532) + HCP_A3 (x(Zr) 0.99876)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull MoZr-02Zin · CALPHAD hull MoZr-03Jer-LB · CALPHAD hull MoZr-20Zha

Invariant reactions (literature)

Invariant reactions reported in the literature for the Mo–Zr system (40)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
2253	peritectic: L + Mobcc -> Mo2Zr	L: Zr 0.42; Mobcc: Zr 0.18; Mo2Zr: Zr 0.333	experimental	[1] Pérez 2003 cites Rudy 1969	Table 1, p. 3, row 2 report
2223	peritectic: Liquid + Mo -> Mo2Zr (Peritectic)	Liquid: Zr 0.42; Mo2Zr: Mo 0.666667, Zr 0.333333	model	[2] Zinkevich 2002 cites Brewer 1980	Table 1, p. 3, row 6 report
2223	peritectic: L + Mobcc -> Mo2Zr	Mo2Zr: Mo 0.666667, Zr 0.333333	experimental	[1] Pérez 2003 cites Petkov 1972	Table 1, p. 3, row 4 report
2223	peritectic: L + Mobcc -> Mo2Zr	L: Zr 0.42; Mobcc: Zr 0.2; Mo2Zr: Mo 0.666667, Zr 0.333333	model	[1] Pérez 2003 cites Brewer 1980	Table 1, p. 3, row 6 report
2223	peritectic: Liquid + Mo -> Mo2Zr (Peritectic)	Mo2Zr: Mo 0.666667, Zr 0.333333	experimental	[2] Zinkevich 2002 cites Petkov 1972	Table 1, p. 3, row 5 report
2194	peritectic: L + Mobcc -> Mo2Zr	L: Zr 0.457; Mobcc: Zr 0.098; Mo2Zr: Zr 0.335	model	[1] Pérez 2003	Table 1, p. 3, row 9 report
2193	peritectic: Liquid + Mo -> Mo2Zr (Peritectic)	Liquid: Zr 0.42; Mo: Zr 0.12; Mo2Zr: Zr 0.33	experimental	[2] Zinkevich 2002 cites Prima 1984	Table 1, p. 3, row 4 report
2193	peritectic: L + Mobcc -> Mo2Zr	L: Zr 0.42; Mobcc: Zr 0.12; Mo2Zr: Zr 0.33	unspecified	[1] Pérez 2003 cites Prima 1984	Table 1, p. 3, row 7 report
2191	peritectic: L + Mobcc -> Mo2Zr	L: Zr 0.46; Mobcc: Zr 0.06; Mo2Zr: Zr 0.333	experimental	[1] Pérez 2003 cites Garg 1977 doi	Table 1, p. 3, row 5 report
2191	peritectic: Liquid + Mo -> Mo2Zr (Peritectic)	Liquid: Zr 0.46; Mo: Zr 0.06; Mo2Zr: Zr 0.333	experimental	[2] Zinkevich 2002 cites Garg 1977 doi	Table 1, p. 3, row 3 report
2188.4	peritectic: Liquid + Mo -> Mo2Zr (Peritectic)	Liquid: Zr 0.4728; Mo: Zr 0.0661; Mo2Zr: Zr 0.3431	model	[2] Zinkevich 2002	Table 1, p. 3, row 7 report
2188	peritectic: L + Mobcc -> Mo2Zr	L: Zr 0.47; Mobcc: Zr 0.066; Mo2Zr: Zr 0.343	model	[1] Pérez 2003 cites Zinkevich 2002 doi	Table 1, p. 3, row 8 report
2178	peritectic: L + Mobcc -> Mo2Zr	L: Zr 0.42; Mobcc: Zr 0.1; Mo2Zr: Zr 0.32	experimental	[1] Pérez 2003 cites Svechnikov 1967	Table 1, p. 3, row 3 report
2178	peritectic: Liquid + Mo -> Mo2Zr (Peritectic)	Liquid: Zr 0.41; Mo: Zr 0.1; Mo2Zr: Zr 0.32	experimental	[2] Zinkevich 2002 cites Svechnikov 1967	Table 1, p. 3, row 2 report
2153	peritectic: L + Mobcc -> Mo2Zr	L: Zr 0.43; Mo2Zr: Zr 0.3333	experimental	[1] Pérez 2003 cites Domagala 1953	Table 1, p. 3, row 1 report
2153	peritectic: Liquid + Mo -> Mo2Zr (Peritectic)	Liquid: Zr 0.43; Mo2Zr: Zr 0.3333	experimental	[2] Zinkevich 2002 cites Domagala 1953	Table 1, p. 3, row 1 report
1868	peritectic: L + Mo2Zr -> Zrbcc	L: Zr 0.68; Mo2Zr: Zr 0.34; Zrbcc: Zr 0.655	experimental	[1] Pérez 2003 cites Rudy 1969	Table 1, p. 3, row 10 report
1849.1	eutectic: Liquid -> bcc-Zr + Mo2Zr (Eutectic)	Liquid: Zr 0.7039; bcc-Zr: Zr 0.8193; Mo2Zr: Zr 0.3726	model	[2] Zinkevich 2002	Table 1, p. 3, row 12 report
1849	eutectic: L -> Zrbcc + Mo2Zr	L: Zr 0.704; Zrbcc: Zr 0.819; Mo2Zr: Zr 0.373	model	[1] Pérez 2003 cites Zinkevich 2002 doi	Table 1, p. 3, row 16 report
1846	peritectic: L + Mo2Zr -> Zrbcc	L: Zr 0.68; Mo2Zr: Mo 0.666667, Zr 0.333333; Zrbcc: Zr 0.68	model	[1] Pérez 2003 cites Brewer 1980	Table 1, p. 3, row 11 report
1825	eutectic: L -> Zrbcc + Mo2Zr	L: Zr 0.717; Zrbcc: Zr 0.77; Mo2Zr: Zr 0.343	model	[1] Pérez 2003	Table 1, p. 3, row 17 report
1824	eutectic: L -> Zrbcc + Mo2Zr	L: Zr 0.71; Zrbcc: Zr 0.77; Mo2Zr: Zr 0.36	experimental	[1] Pérez 2003 cites Garg 1977 doi	Table 1, p. 3, row 15 report
1824	eutectic: Liquid -> bcc-Zr + Mo2Zr (Eutectic)	Liquid: Zr 0.71; bcc-Zr: Zr 0.77; Mo2Zr: Zr 0.36	experimental	[2] Zinkevich 2002 cites Garg 1977 doi	Table 1, p. 3, row 10 report
1823	eutectic: L -> Zrbcc + Mo2Zr	L: Zr 0.52; Zrbcc: Zr 0.59; Mo2Zr: Zr 0.37	model	[1] Pérez 2003 cites Kubaschewski	Table 1, p. 3, row 14 report
1823	eutectic: Liquid -> bcc-Zr + Mo2Zr (Eutectic)	Liquid: Zr 0.52; bcc-Zr: Zr 0.59; Mo2Zr: Zr 0.37	model	[2] Zinkevich 2002 cites Kubaschewski 1976	Table 1, p. 3, row 11 report
1793	eutectic: L -> Zrbcc + Mo2Zr	L: Zr 0.7; Zrbcc: Zr 0.79; Mo2Zr: Zr 0.333	experimental	[1] Pérez 2003 cites Domagala 1953	Table 1, p. 3, row 12 report
1793	eutectic: Liquid -> bcc-Zr + Mo2Zr (Eutectic)	Liquid: Zr 0.7; bcc-Zr: Zr 0.79; Mo2Zr: Zr 0.3333	experimental	[2] Zinkevich 2002 cites Domagala 1953	Table 1, p. 3, row 8 report
1773	eutectic: L -> Zrbcc + Mo2Zr	L: Zr 0.64; Zrbcc: Zr 0.81; Mo2Zr: Zr 0.35	experimental	[1] Pérez 2003 cites Svechnikov 1967	Table 1, p. 3, row 13 report
1773	eutectic: Liquid -> bcc-Zr + Mo2Zr (Eutectic)	Liquid: Zr 0.64; bcc-Zr: Zr 0.81; Mo2Zr: Zr 0.345	experimental	[2] Zinkevich 2002 cites Svechnikov 1967	Table 1, p. 3, row 9 report
1053	eutectoid: bcc-Zr -> cph-Zr + Mo2Zr (Eutectoid)	bcc-Zr: Zr 0.928; Mo2Zr: Zr 0.3333	experimental	[2] Zinkevich 2002 cites Domagala 1953	Table 1, p. 3, row 13 report
1053	eutectoid: Zrbcc -> Zrhcp + Mo2Zr	Zrbcc: Zr 0.925; Mo2Zr: Zr 0.333	experimental	[1] Pérez 2003 cites Domagala 1953	Table 1, p. 3, row 18 report
1053	eutectoid: Zrbcc -> Zrhcp + Mo2Zr	Zrbcc: Zr 0.928; Mo2Zr: Mo 0.666667, Zr 0.333333	experimental	[1] Pérez 2003 cites Rudy 1969	Table 1, p. 3, row 19 report
1050	eutectoid: Zrbcc -> Zrhcp + Mo2Zr	Zrbcc: Zr 0.957; Zrhcp: Zr 0.9978; Mo2Zr: Zr 0.334	model	[1] Pérez 2003	Table 1, p. 3, row 24 report
1011	eutectoid: bcc-Zr -> cph-Zr + Mo2Zr (Eutectoid)	bcc-Zr: Zr 0.925; cph-Zr: Zr 0.998; Mo2Zr: Mo 0.666667, Zr 0.333333	model	[2] Zinkevich 2002 cites ref. 1984Bre	Table 1, p. 3, row 15 report
1011	eutectoid: Zrbcc -> Zrhcp + Mo2Zr	Mo2Zr: Mo 0.666667, Zr 0.333333	experimental	[1] Pérez 2003 cites Samsonov 1972	Table 1, p. 3, row 21 report
1011	eutectoid: Zrbcc -> Zrhcp + Mo2Zr	Zrbcc: Zr 0.928; Mo2Zr: Mo 0.666667, Zr 0.333333	model	[1] Pérez 2003 cites Brewer 1980	Table 1, p. 3, row 22 report
1003	eutectoid: Zrbcc -> Zrhcp + Mo2Zr	Zrbcc: Zr 0.937; Zrhcp: Zr 0.9969; Mo2Zr: Zr 0.339	model	[1] Pérez 2003 cites Zinkevich 2002 doi	Table 1, p. 3, row 23 report
1002.7	eutectoid: bcc-Zr -> cph-Zr + Mo2Zr (Eutectoid)	bcc-Zr: Zr 0.9307; cph-Zr: Zr 0.9969; Mo2Zr: Zr 0.3387	model	[2] Zinkevich 2002	Table 1, p. 3, row 16 report
903	eutectoid: bcc-Zr -> cph-Zr + Mo2Zr (Eutectoid)	bcc-Zr: Zr 0.92; Mo2Zr: Mo 0.666667, Zr 0.333333	experimental	[2] Zinkevich 2002 cites Svechnikov 1967	Table 1, p. 3, row 14 report
903	eutectoid: Zrbcc -> Zrhcp + Mo2Zr	Zrbcc: Zr 0.92; Mo2Zr: Mo 0.666667, Zr 0.333333	experimental	[1] Pérez 2003 cites Svechnikov 1967	Table 1, p. 3, row 20 report

Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.

Enthalpies of formation, Mo–Zr system (3)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Mo2Zr (Laves_c15)		-13.48 kJ/mol-atom		DFT			[1] Pérez 2003	Table 2, p. 7, row 3 report
Mo2Zr (Laves_c15)	Mo2Zr	-9.3 kJ/mol-atom		model	-13.443 (mp-aaaaadav)	-13.282 (oqmd-17718)	[1] Pérez 2003 cites Brewer 1980	Table 2, p. 7, row 1 report
Mo2Zr (Laves_c15)	Mo2Zr	-7.49 kJ/mol-atom	298.15	model	-13.443 (mp-aaaaadav)	-13.282 (oqmd-17718)	[1] Pérez 2003 cites De 1988	Table 2, p. 7, row 2 report

Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

Rosa Jerlerud Pérez, Bo Sundman, Thermodynamic assessment of the Mo–Zr binary phase diagram, Calphad 27, 253-262 (2003). doi:10.1016/j.calphad.2003.09.003
M. Zinkevich, N. Mattern, Thermodynamic assessment of the Mo-Zr system, JPE 23, 156-162 (2002). doi:10.1361/1054971023604242

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-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 the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work); 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). 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_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}
}