Cr–Ta system

8 accepted literature values from 2 paper(s) (experimental 2, model 3, DFT 3); 2 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (6) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	2
model	3
DFT	3

Accepted values by property group
Property group	Values
formation	8

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
CrTa-09Pav.tdb	J. Pavlu, J. Vrestal, M. Sob, Calphad, 33, 179-86(2009). doi:10.1016/j.calphad.2008.04.006	`9b511b195240080dd54955ff86b4c3e0c6419399a440f142a5b6046124109a8f`	viewer · TDB · JSON
CrTa-93Dup-LB.tdb	N. Dupin, I. Ansara, J. Phase Equilib., 14, 451-56(1993), addendum, ibid, 15, 135(1994). doi:10.1007/BF02671963	`4ebec6dec118a81cac200c624e314a88f5c149eda56c0325e24c3d90526e0846`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
CrTa-09Pav.tdb	2238.61	C14_LAVES (x(Ta) 0.37862) + LIQUID (x(Ta) 0.5011) + BCC_A2 (x(Ta) 0.73492)
CrTa-09Pav.tdb	2065.68	BCC_A2 (x(Ta) 0.03968) + LIQUID (x(Ta) 0.09906) + C14_LAVES (x(Ta) 0.30654)
CrTa-09Pav.tdb	1991.39	C14_LAVES (x(Ta) 0.37308) + C15_LAVES (x(Ta) 0.37408) + BCC_A2 (x(Ta) 0.84827)
CrTa-09Pav.tdb	1903.36	BCC_A2 (x(Ta) 0.01899) + C14_LAVES (x(Ta) 0.30973) + C15_LAVES (x(Ta) 0.3111)
CrTa-93Dup-LB.tdb	2223.57	C14_LAVES (x(Ta) 0.38351) + LIQUID (x(Ta) 0.49523) + BCC_A2 (x(Ta) 0.72858)
CrTa-93Dup-LB.tdb	2043.56	BCC_A2 (x(Ta) 0.04661) + LIQUID (x(Ta) 0.11701) + C14_LAVES (x(Ta) 0.30232)
CrTa-93Dup-LB.tdb	1989.79	C14_LAVES (x(Ta) 0.35387) + C15_LAVES (x(Ta) 0.35904) + BCC_A2 (x(Ta) 0.80496)
CrTa-93Dup-LB.tdb	1915.8	BCC_A2 (x(Ta) 0.02889) + C14_LAVES (x(Ta) 0.31195) + C15_LAVES (x(Ta) 0.32526)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull CrTa-93Dup-LB

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, Cr–Ta system (8)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Cr2Ta (LT)	Cr2Ta	-8.93 kJ/mol-atom		model	-11.01 (mp-aaaaadnt)	-12.142 (oqmd-18299)	[1] Dupin 1993	Table 4, p. 5, row 3 report
Cr2Ta (LT)	Cr2Ta	-8.596 kJ/mol-atom		model	-11.01 (mp-aaaaadnt)	-12.142 (oqmd-18299)	[1] Dupin 1993	Table 4, p. 5, row 4 report
Cr2Ta (LT)	Cr2Ta	-8.5 kJ/mol-atom ± 0.5	1693	experimental	-11.01 (mp-aaaaadnt)	-12.142 (oqmd-18299)	[1] Dupin 1993 cites Feschotte 1964 doi	Table 4, p. 5, row 1 report
Cr2Ta (LT)	Cr2Ta	-5 kJ/mol-atom	1693	model	-11.01 (mp-aaaaadnt)	-12.142 (oqmd-18299)	[1] Dupin 1993 cites Kaufman 1991 doi	Table 4, p. 5, row 2 report
Cr2Ta C14		-8.5 kJ/mol (basis unstated)	298.15	experimental			[2] Pavlů 2009 cites Feschotte 1964	Table 4, p. 4, row 5 report
CrTa2 (C14)		76.35 kJ/mol (basis unstated)	0	DFT			[2] Pavlů 2009	Table 5, p. 4, row 2 report
CrTa2 (C15)		74.39 kJ/mol (basis unstated)	0	DFT			[2] Pavlů 2009	Table 5, p. 4, row 4 report
CrTa2 (C36)		75.34 kJ/mol (basis unstated)	0	DFT			[2] Pavlů 2009	Table 5, p. 4, row 6 report

Sources

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

N. Dupin, I. Ansara, Thermodynamic assessment of the Cr-Ta system, JPE 14, 451-456 (1993). doi:10.1007/bf02671963
J. Pavlů, J. Vřešt’ál, M. Šob, Re-modeling of Laves phases in the Cr–Nb and Cr–Ta systems using first-principles results, Calphad 33, 179-186 (2009). doi:10.1016/j.calphad.2008.04.006

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}
}