Cr–Nb–Ta system

73 accepted literature values from 1 paper(s) (experimental 11, model 8, DFT 53, unspecified 1); 0 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	11
model	8
DFT	53
unspecified	1

Accepted values by property group
Property group	Values
formation	21
crystal structure	52

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–Nb–Ta system (21)
Phase	Value	T (K)	Class	Source	Location
C14	-32.453 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009	Table 9, p. 6, row 4 report
C14	-31.113 kJ/mol (basis unstated)	2000	model	[1] Pavlů 2009	Table 9, p. 6, row 3 report
C14	-26.02 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009	Table 9, p. 6, row 2 report
C14	-24.86 kJ/mol (basis unstated)	2000	model	[1] Pavlů 2009	Table 9, p. 6, row 1 report
C14	-10.25 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009	Table 9, p. 6, row 8 report
C14	-8.928 kJ/mol (basis unstated)	2000	model	[1] Pavlů 2009	Table 9, p. 6, row 7 report
C14	-1.81 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009	Table 9, p. 6, row 6 report
C14	-0.65 kJ/mol (basis unstated)	2000	model	[1] Pavlů 2009	Table 9, p. 6, row 5 report
C14	27.8 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009 cites Sluiter 2006 doi	Table 3, p. 3, row 2 report
C14	28.63 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009	Table 3, p. 3, row 1 report
C15	-33.13 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009	Table 9, p. 6, row 12 report
C15	-31.646 kJ/mol (basis unstated)	2000	model	[1] Pavlů 2009	Table 9, p. 6, row 11 report
C15	-26.903 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009	Table 9, p. 6, row 10 report
C15	-25.649 kJ/mol (basis unstated)	2000	model	[1] Pavlů 2009	Table 9, p. 6, row 9 report
C15	-11.29 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009	Table 9, p. 6, row 16 report
C15	-9.824 kJ/mol (basis unstated)	2000	model	[1] Pavlů 2009	Table 9, p. 6, row 15 report
C15	-3.31 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009	Table 9, p. 6, row 14 report
C15	-2.055 kJ/mol (basis unstated)	2000	model	[1] Pavlů 2009	Table 9, p. 6, row 13 report
C15	26.4 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009 cites Sluiter 2006 doi	Table 3, p. 3, row 8 report
C15	27.29 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009	Table 3, p. 3, row 7 report
C36	27.75 kJ/mol (basis unstated)	0	DFT	[1] Pavlů 2009	Table 3, p. 3, row 13 report

Other properties

Crystal structure (52)

Crystal structure, Cr–Nb–Ta system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	2.85 Å		Antiferromagnetic BCC Cr alloy: Nb 0, Ta 0	unspecified	[1] Pavlů 2009	Table 1, p. 3, row 1 report
Lattice a	4.64 Å	0	C14 alloy: Nb 0, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 1 report
Lattice a	5.32 Å	0	C14 alloy: Nb 0, Ta 0.666667	DFT	[1] Pavlů 2009	Table 2, p. 3, row 9 report
Lattice a	4.88 Å	0	C14 alloy: Nb 0.333333, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 4 report
Lattice a	5.38 Å	0	C14 alloy: Nb 0.666667, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 6 report
Lattice a	4.87 Å	0	C14 alloy: Nb 0, Ta 0.333333	DFT	[1] Pavlů 2009	Table 2, p. 3, row 7 report
Lattice a	6.93 Å	0	C15 alloy: Nb 0.333333, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 13 report
Lattice a	7.5 Å	0	C15 alloy: Nb 0.666667, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 15 report
Lattice a	7.48 Å	0	C15 alloy: Nb 0, Ta 0.666667	DFT	[1] Pavlů 2009	Table 2, p. 3, row 18 report
Lattice a	6.58 Å	0	C15 alloy: Nb 0, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 10 report
Lattice a	6.91 Å	0	C15 alloy: Nb 0, Ta 0.333333	DFT	[1] Pavlů 2009	Table 2, p. 3, row 16 report
Lattice a	4.9 Å	0	C36 alloy: Nb 0.333333, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 22 report
Lattice a	5.3 Å	0	C36 alloy: Nb 0, Ta 0.666667	DFT	[1] Pavlů 2009	Table 2, p. 3, row 25 report
Lattice a	4.88 Å	0	C36 alloy: Nb 0, Ta 0.333333	DFT	[1] Pavlů 2009	Table 2, p. 3, row 24 report
Lattice a	4.65 Å	0	C36 alloy: Nb 0, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 19 report
Lattice a	5.32 Å	0	C36 alloy: Nb 0.666667, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 23 report
Lattice a	2.88 Å	298.15	Antiferromagnetic BCC Cr alloy: Nb 0, Ta 0	experimental	[1] Pavlů 2009 cites Villars 1991	Table 1, p. 3, row 2 report
Lattice a	4.93 Å	298.15	C14 alloy: Nb 0.333333, Ta 0	experimental	[1] Pavlů 2009 cites Villars 1991	Table 2, p. 3, row 5 report
Lattice a	4.93 Å	298.15	C14 alloy: Nb 0, Ta 0.333333	experimental	[1] Pavlů 2009 cites Villars 1991	Table 2, p. 3, row 8 report
Lattice a	6.97 Å	298.15	C15 alloy: Nb 0.333333, Ta 0	experimental	[1] Pavlů 2009 cites Villars 1991	Table 2, p. 3, row 14 report
Lattice a	7 Å	298.15	C15 alloy: Nb 0, Ta 0.333333	experimental	[1] Pavlů 2009 cites Villars 1991	Table 2, p. 3, row 17 report
Lattice c	7.66 Å	0	C14 alloy: Nb 0, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 1 report
Lattice c	8.5 Å	0	C14 alloy: Nb 0, Ta 0.666667	DFT	[1] Pavlů 2009	Table 2, p. 3, row 9 report
Lattice c	8.06 Å	0	C14 alloy: Nb 0.333333, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 4 report
Lattice c	8.36 Å	0	C14 alloy: Nb 0.666667, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 6 report
Lattice c	8.03 Å	0	C14 alloy: Nb 0, Ta 0.333333	DFT	[1] Pavlů 2009	Table 2, p. 3, row 7 report
Lattice c	16.02 Å	0	C36 alloy: Nb 0.333333, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 22 report
Lattice c	17.18 Å	0	C36 alloy: Nb 0, Ta 0.666667	DFT	[1] Pavlů 2009	Table 2, p. 3, row 25 report
Lattice c	15.98 Å	0	C36 alloy: Nb 0, Ta 0.333333	DFT	[1] Pavlů 2009	Table 2, p. 3, row 24 report
Lattice c	15.23 Å	0	C36 alloy: Nb 0, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 19 report
Lattice c	17.15 Å	0	C36 alloy: Nb 0.666667, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 23 report
Lattice c	8.12 Å	298.15	C14 alloy: Nb 0.333333, Ta 0	experimental	[1] Pavlů 2009 cites Villars 1991	Table 2, p. 3, row 5 report
Lattice c	8.06 Å	298.15	C14 alloy: Nb 0, Ta 0.333333	experimental	[1] Pavlů 2009 cites Villars 1991	Table 2, p. 3, row 8 report
lattice 2v atom	2.777 10^7 pm^3	0	C36 alloy: Nb 0.333333, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 22 report
lattice 2v atom	3.486 10^7 pm^3	0	C36 alloy: Nb 0, Ta 0.666667	DFT	[1] Pavlů 2009	Table 2, p. 3, row 25 report
lattice 2v atom	2.747 10^7 pm^3	0	C36 alloy: Nb 0, Ta 0.333333	DFT	[1] Pavlů 2009	Table 2, p. 3, row 24 report
lattice 2v atom	2.378 10^7 pm^3	0	C36 alloy: Nb 0, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 19 report
lattice 2v atom	3.508 10^7 pm^3	0	C36 alloy: Nb 0.666667, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 23 report
lattice v atom	1.191 10^7 pm^3	0	C14 alloy: Nb 0, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 1 report
lattice v atom	1.74 10^7 pm^3	0	C14 alloy: Nb 0, Ta 0.666667	DFT	[1] Pavlů 2009	Table 2, p. 3, row 9 report
lattice v atom	1.39 10^7 pm^3	0	C14 alloy: Nb 0.333333, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 4 report
lattice v atom	1.474 10^7 pm^3	0	C14 alloy: Nb 0.666667, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 6 report
lattice v atom	1.375 10^7 pm^3	0	C14 alloy: Nb 0, Ta 0.333333	DFT	[1] Pavlů 2009	Table 2, p. 3, row 7 report
lattice v atom	1.388 10^7 pm^3	0	C15 alloy: Nb 0.333333, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 13 report
lattice v atom	1.755 10^7 pm^3	0	C15 alloy: Nb 0.666667, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 15 report
lattice v atom	1.744 10^7 pm^3	0	C15 alloy: Nb 0, Ta 0.666667	DFT	[1] Pavlů 2009	Table 2, p. 3, row 18 report
lattice v atom	1.187 10^7 pm^3	0	C15 alloy: Nb 0, Ta 0	DFT	[1] Pavlů 2009	Table 2, p. 3, row 10 report
lattice v atom	1.372 10^7 pm^3	0	C15 alloy: Nb 0, Ta 0.333333	DFT	[1] Pavlů 2009	Table 2, p. 3, row 16 report
lattice v atom	1.424 10^7 pm^3	298.15	C14 alloy: Nb 0.333333, Ta 0	experimental	[1] Pavlů 2009 cites Villars 1991	Table 2, p. 3, row 5 report
lattice v atom	1.411 10^7 pm^3	298.15	C14 alloy: Nb 0, Ta 0.333333	experimental	[1] Pavlů 2009 cites Villars 1991	Table 2, p. 3, row 8 report
lattice v atom	1.413 10^7 pm^3	298.15	C15 alloy: Nb 0.333333, Ta 0	experimental	[1] Pavlů 2009 cites Villars 1991	Table 2, p. 3, row 14 report
lattice v atom	1.427 10^7 pm^3	298.15	C15 alloy: Nb 0, Ta 0.333333	experimental	[1] Pavlů 2009 cites Villars 1991	Table 2, p. 3, row 17 report

Sources

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

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 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_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}
}