Ta–V system

128 accepted literature values from 3 paper(s) (experimental 39, model 14, DFT 72, unspecified 3); 5 calculated phase diagram(s). 3 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 (6) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	39
model	14
DFT	72
unspecified	3

Accepted values by property group
Property group	Values
invariant reaction	4
phase transition	13
formation	5
mixing / partial	1
crystal structure	105

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
TaV-04Dan-LB.tdb	C.A. Danon, C. Servant, J. Alloys Compd., 366, 191-200(2004). doi:10.1016/S0925-8388(03)00728-X	`759e7fab83f6768c8ba3cc1bc1b360cce5efe1f8f2145e7998dc039493febbcc`	viewer · TDB · JSON
TaV-04Dan-final.tdb	C.A. Danon, C. Servant, J. Alloys Compd., 366, 191-200(2004). doi:10.1016/S0925-8388(03)00728-X	`e087735be882c734158b1418f36ff6b247144d5801e36144bec1354ccab56199`	viewer · TDB · JSON
TaV-11Pav-3sl.tdb	J. Pavlu, J. Vrestal, X.-Q. Chen, P. Rogl, Calphad, 35, 103-8(2011). doi:10.1016/j.calphad.2010.12.002	`14fb4f3a13ba57e1b06d3c6c2c609cd63b6dcea149ab805026cc6eb8bd47ae0d`	viewer · TDB · JSON
TaV-11Pav.tdb	J. Pavlu, J. Vrestal, X.-Q. Chen, P. Rogl, Calphad, 35, 103-8(2011). doi:10.1016/j.calphad.2010.12.002	`773e8a82344b28f3e739a61c9b5a540002e0448854ce38bf3e2ce9493baa5609`	viewer · TDB · JSON
TaV-13Bro.tdb	P. Broz, A.U. Khan, H. Niu, X.-Q. Chen, D. Li, J. Vrestal, J. Bursik, P. Rogl, J. Solid Stae Chem., 199, 171-80(2013). doi:10.1016/j.jssc.2012.12.003	`f220800583236b2b9725c30dbe0c178a25c381e9b58301bc881799758aa4a073`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
TaV-04Dan-final.tdb	1550.16	BCC_A2 (x(V) 0.49715) + C15_LAVES (x(V) 0.62646) + C14_LAVES (x(V) 0.64025)
TaV-04Dan-final.tdb	1403.03	C15_LAVES (x(V) 0.68706) + C14_LAVES (x(V) 0.68981) + BCC_A2 (x(V) 0.93516)
TaV-11Pav-3sl.tdb	1547.05	BCC_A2 (x(V) 0.42079) + C15_LAVES (x(V) 0.62086) + C14_LAVES (x(V) 0.63932)
TaV-11Pav-3sl.tdb	1405.16	C15_LAVES (x(V) 0.68362) + C14_LAVES (x(V) 0.68934) + BCC_A2 (x(V) 0.96665)
TaV-11Pav-3sl.tdb	643.35	C15_LAVES (x(V) 0.66855) + C14_LAVES (x(V) 0.66872) + BCC_A2 (x(V) 0.99992)
TaV-11Pav-3sl.tdb	602.17	BCC_A2 (x(V) 0.10925) + C15_LAVES (x(V) 0.64983) + C14_LAVES (x(V) 0.65998)
TaV-11Pav.tdb	1550.87	BCC_A2 (x(V) 0.42392) + C15_LAVES (x(V) 0.62142) + C14_LAVES (x(V) 0.63798)
TaV-11Pav.tdb	1405.18	C15_LAVES (x(V) 0.68362) + C14_LAVES (x(V) 0.69305) + BCC_A2 (x(V) 0.96665)
TaV-11Pav.tdb	626.13	C15_LAVES (x(V) 0.66831) + C14_LAVES (x(V) 0.66925) + BCC_A2 (x(V) 0.99994)
TaV-11Pav.tdb	588.7	BCC_A2 (x(V) 0.10639) + C15_LAVES (x(V) 0.65095) + C14_LAVES (x(V) 0.66026)
TaV-13Bro.tdb	631.44	C15_LAVES (x(V) 0.66832) + C14_LAVES (x(V) 0.66932) + BCC_A2 (x(V) 0.99971)
TaV-13Bro.tdb	605.4	BCC_A2 (x(V) 0.15681) + C15_LAVES (x(V) 0.65261) + C14_LAVES (x(V) 0.6608)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull TaV-04Dan-LB · CALPHAD hull TaV-04Dan-final · CALPHAD hull TaV-11Pav-3sl · CALPHAD hull TaV-11Pav

Invariant reactions (literature)

Invariant reactions reported in the literature for the Ta–V system (4)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1553	peritectoid: C14 + bcc <-> C15	C14: V 0.64; bcc: V 0.45; C15: V 0.63	experimental	[1] Danon 2004 cites Savitskii 1972	Table 3, p. 6, row 16 report
1548	peritectoid: C14 + bcc <-> C15	C14: V 0.64; bcc: V 0.496; C15: V 0.626	model	[1] Danon 2004	Table 3, p. 6, row 17 report
1400	eutectoid: C14 <-> C15 + bcc	C14: V 0.69; C15: V 0.687; bcc: V 0.936	model	[1] Danon 2004	Table 3, p. 6, row 19 report
1398	eutectoid: C14 <-> C15 + bcc	C14: V 0.71; C15: V 0.69; bcc: V 0.91	experimental	[1] Danon 2004 cites Savitskii 1972	Table 3, p. 6, row 18 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, Ta–V system (5)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
TaV2	TaV2	-11.7 kJ/mol-atom		model	-10.061 (mp-aaabghei)	-12.128 (oqmd-1365869)	[2] Broz 2013 cites Charifi 2009	Table 2, p. 6, row 2 report
TaV2	TaV2	-11.4 kJ/mol-atom	0	unspecified	-10.061 (mp-aaabghei)	-12.128 (oqmd-1365869)	[2] Broz 2013	Table 2, p. 6, row 1 report
TaV2	TaV2	-11.4 kJ/mol-atom	0	model	-10.061 (mp-aaabghei)	-12.128 (oqmd-1365869)	[2] Broz 2013 cites Pavlu 2011 doi	Table 2, p. 6, row 3 report
TaV2	TaV2	-10.2 kJ/mol-atom	0	model	-10.061 (mp-aaabghei)	-12.128 (oqmd-1365869)	[2] Broz 2013 cites Pavlu 2011 doi	Table 2, p. 6, row 5 report
TaV2	TaV2	-10.2 kJ/mol-atom	0	unspecified	-10.061 (mp-aaabghei)	-12.128 (oqmd-1365869)	[2] Broz 2013	Table 2, p. 6, row 4 report

Other properties

Phase transition (13)

Phase transition, Ta–V system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Phase transition	1565 K	1565	congruent transformation: bcc <-> C15 bcc: V 0.66; C15: V 0.66	model	[1] Danon 2004	Table 3, p. 6, row 15 report
Phase transition	1574 K	1574	congruent transformation: bcc <-> C15 bcc: V 0.667; C15: V 0.667	model	[1] Danon 2004 cites Kaufman 1991 doi	Table 3, p. 6, row 14 report
Phase transition	1583 K	1583	congruent transformation: bcc <-> C15 bcc: V 0.67; C15: V 0.67	experimental	[1] Danon 2004 cites Nefedov 1965	Table 3, p. 6, row 13 report
Phase transition	1593 K	1593	congruent transformation: bcc <-> C15 bcc: V 0.67; C15: V 0.67	experimental	[1] Danon 2004 cites Carlson 1959	Table 3, p. 6, row 12 report
Phase transition	1693 K	1693	congruent transformation: bcc <-> C14 bcc: V 0.67	experimental	[1] Danon 2004 cites Savitskii 1972	Table 3, p. 6, row 10 report
Phase transition	1693 K	1693	congruent transformation: bcc <-> C14 bcc: V 0.67	experimental	[1] Danon 2004 cites Eremenko 1962	Table 3, p. 6, row 9 report
Phase transition	1702 K	1702	congruent transformation: bcc <-> C14 bcc: V 0.673	model	[1] Danon 2004	Table 3, p. 6, row 11 report
Phase transition	2093 K	2093	other: Liquid <-> bcc Liquid: V 0.892; bcc: V 0.892	experimental	[1] Danon 2004 cites Carlson 1959	Table 3, p. 6, row 4 report
Phase transition	2098 K	2098	other: Liquid <-> bcc Liquid: V 0.85; bcc: V 0.85	experimental	[1] Danon 2004 cites Nefedov 1965	Table 3, p. 6, row 3 report
Phase transition	2099 K	2099	other: Liquid <-> bcc Liquid: V 0.871; bcc: V 0.871	model	[1] Danon 2004	Table 3, p. 6, row 5 report
Phase transition	2114 K	2114	other: Liquid <-> bcc Liquid: V 0.875; bcc: V 0.875	model	[1] Danon 2004	Table 3, p. 6, row 6 report
Phase transition	2153 K	2153	other: Liquid <-> bcc Liquid: V 0.89; bcc: V 0.89	experimental	[1] Danon 2004 cites Smith 1983 doi	Table 3, p. 6, row 2 report
Phase transition	2182.3 K	2182.3	other: Liquid <-> bcc Liquid: V 0.9735; bcc: V 0.9735	model	[1] Danon 2004 cites Smith 1983 doi	Table 3, p. 6, row 1 report

Mixing / partial (1)

Mixing / partial, Ta–V system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Enthalpy of mixing printed: enthalpy of mixing	-1 kJ/mol-atom	3373	liquid	model	[1] Danon 2004	p. 4 report	In addition, an enthalpy of mixing of the liquid of -1000 J/mol of atoms at 3373 K was fixed as input for the equiatomic alloy, using liquid Ta and V at the same temperature as reference states.

Crystal structure (105)

Crystal structure, Ta–V system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	5.3847 Å	0	C14 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 8 report
Lattice a	5.0648 Å	0	C14 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 5 report
Lattice a	5.4068 Å	0	C14 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 7 report
Lattice a	5.4352 Å	0	C14 alloy: V 0.166667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 10 report
Lattice a	5.4507 Å	0	C14 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 11 report
Lattice a	7.5399 Å	0	C15 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 9 report
Lattice a	7.6451 Å	0	C15 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 12 report
Lattice a	7.0957 Å	0	C15 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 6 report
Lattice a	5.0542 Å	0	C36 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 14 report
Lattice a	5.4416 Å	0	C36 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 18 report
Lattice a	5.4245 Å	0	C36 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 15 report
Lattice a	5.3818 Å	0	C36 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 16 report
Lattice a	5.4406 Å	0	C36 alloy: V 0.166667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 17 report
Lattice a	3.309 Å	0	NM BCC Ta alloy: V 0	DFT	[3] Pavlů 2011	Table 1, p. 3, row 4 report
Lattice a	7.167 Å	0	TaV2 alloy: Ta 0.333333, V 0.666667	DFT	[2] Broz 2013	Table 1, p. 3, row 30 report
Lattice a	5.092 Å	0	TaV2 alloy: Ta 0.333333, V 0.666667	DFT	[2] Broz 2013	Table 1, p. 3, row 26 report
Lattice a	5.09 Å	298.15	C14	experimental	[1] Danon 2004 cites Nefedov 1965	Table 2, p. 3, row 9 report
Lattice a	4.96 Å	298.15	C14 alloy: V 0.666667	experimental	[3] Pavlů 2011 cites Villars 1991	Table 2, p. 3, row 1 report
Lattice a	5.058 Å	298.15	C14 alloy: V 0.666667	experimental	[1] Danon 2004 cites Nefedov 1965	Table 2, p. 3, row 2 report
Lattice a	4.96 Å	298.15	C14 alloy: V 0.666667	experimental	[1] Danon 2004 cites Savitskii 1972	Table 2, p. 3, row 11 report
Lattice a	4.96 Å	298.15	C14 alloy: V 0.666667	experimental	[1] Danon 2004 cites Yu 1965	Table 2, p. 3, row 10 report
Lattice a	5.058 Å	298.15	C14	experimental	[1] Danon 2004 cites Nefedov 1965	Table 2, p. 3, row 8 report
Lattice a	7.163 Å	298.15	C15 alloy: V 0.68	experimental	[1] Danon 2004 cites Carlson 1959	Table 2, p. 3, row 3 report
Lattice a	7.1555 Å	298.15	C15 alloy: V 0.666667	experimental	[3] Pavlů 2011 cites Villars 1991	Table 2, p. 3, row 2 report
Lattice a	7.155 Å	298.15	C15 alloy: V 0.666667	experimental	[1] Danon 2004 cites Wennerstrom 1975 doi	Table 2, p. 3, row 6 report
Lattice a	7.14 Å	298.15	C15 alloy: V 0.666667	experimental	[1] Danon 2004 cites Pushin 1980	Table 2, p. 3, row 4 report
Lattice a	7.153 Å	298.15	C15 alloy: V 0.666667	experimental	[1] Danon 2004 cites Schippnick 1974 doi	Table 2, p. 3, row 5 report
Lattice a	7.1597 Å	298.15	C15 alloy: V 0.666667	experimental	[1] Danon 2004 cites Lynch 1981 doi	Table 2, p. 3, row 1 report
Lattice a	7.16 Å	298.15	C15 alloy: V 0.666667	experimental	[1] Danon 2004 cites Somenkov 1966	Table 2, p. 3, row 7 report
Lattice a	7.14 Å	298.15	C15 alloy: V 0.666667	experimental	[1] Danon 2004 cites Yu 1965	Table 2, p. 3, row 12 report
Lattice a	3.3019 Å	298.15	NM BCC Ta alloy: V 0	experimental	[3] Pavlů 2011 cites Villars 1991	Table 1, p. 3, row 3 report
Lattice a	7.157 Å	298.15	TaV2 alloy: Ta 0.333333, V 0.666667	unspecified	[2] Broz 2013 cites Smith 1983 doi	Table 1, p. 3, row 29 report
Lattice a	5.058 Å ± 0.005	300	TaV2 alloy: Ta 0.333333, V 0.666667	model	[2] Broz 2013 cites Nefedov 2013	Table 1, p. 3, row 25 report
Lattice c	8.505 Å	0	C14 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 8 report
Lattice c	8.0425 Å	0	C14 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 5 report
Lattice c	7.9277 Å	0	C14 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 7 report
Lattice c	8.3071 Å	0	C14 alloy: V 0.166667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 10 report
Lattice c	8.6784 Å	0	C14 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 11 report
Lattice c	16.1519 Å	0	C36 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 14 report
Lattice c	17.4252 Å	0	C36 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 18 report
Lattice c	15.7626 Å	0	C36 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 15 report
Lattice c	17.0652 Å	0	C36 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 16 report
Lattice c	16.58 Å	0	C36 alloy: V 0.166667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 17 report
Lattice c	8.069 Å	0	TaV2 alloy: Ta 0.333333, V 0.666667	DFT	[2] Broz 2013	Table 1, p. 3, row 26 report
Lattice c	8.322 Å	298.15	C14	experimental	[1] Danon 2004 cites Nefedov 1965	Table 2, p. 3, row 9 report
Lattice c	8.11 Å	298.15	C14 alloy: V 0.666667	experimental	[3] Pavlů 2011 cites Villars 1991	Table 2, p. 3, row 1 report
Lattice c	8.25 Å	298.15	C14 alloy: V 0.666667	experimental	[1] Danon 2004 cites Nefedov 1965	Table 2, p. 3, row 2 report
Lattice c	8.11 Å	298.15	C14 alloy: V 0.666667	experimental	[1] Danon 2004 cites Savitskii 1972	Table 2, p. 3, row 11 report
Lattice c	8.11 Å	298.15	C14 alloy: V 0.666667	experimental	[1] Danon 2004 cites Yu 1965	Table 2, p. 3, row 10 report
Lattice c	8.25 Å	298.15	C14	experimental	[1] Danon 2004 cites Nefedov 1965	Table 2, p. 3, row 8 report
Lattice c	8.25 Å ± 0.005	300	TaV2 alloy: Ta 0.333333, V 0.666667	model	[2] Broz 2013 cites Nefedov 2013	Table 1, p. 3, row 25 report
lattice c a	1 not_printed	0	NM BCC Ta alloy: V 0	DFT	[3] Pavlů 2011	Table 1, p. 3, row 4 report
lattice c a	1.635 not_printed	298.15	C14	experimental	[1] Danon 2004 cites Nefedov 1965	Table 2, p. 3, row 9 report
lattice c a	1.631 not_printed	298.15	C14 alloy: V 0.666667	experimental	[1] Danon 2004 cites Nefedov 1965	Table 2, p. 3, row 2 report
lattice c a	1.63 not_printed	298.15	C14 alloy: V 0.666667	experimental	[1] Danon 2004 cites Savitskii 1972	Table 2, p. 3, row 11 report
lattice c a	1.63 not_printed	298.15	C14 alloy: V 0.666667	experimental	[1] Danon 2004 cites Yu 1965	Table 2, p. 3, row 10 report
lattice c a	1.631 not_printed	298.15	C14	experimental	[1] Danon 2004 cites Nefedov 1965	Table 2, p. 3, row 8 report
lattice c a	1 not_printed	298.15	NM BCC Ta alloy: V 0	experimental	[3] Pavlů 2011 cites Villars 1991	Table 1, p. 3, row 3 report
lattice v atom	1.78 10^7 pm^3	0	C14 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 8 report
lattice v atom	1.489 10^7 pm^3	0	C14 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 5 report
lattice v atom	1.673 10^7 pm^3	0	C14 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 7 report
lattice v atom	1.771 10^7 pm^3	0	C14 alloy: V 0.166667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 10 report
lattice v atom	1.861 10^7 pm^3	0	C14 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 11 report
lattice v atom	1.786 10^7 pm^3	0	C15 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 9 report
lattice v atom	1.862 10^7 pm^3	0	C15 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 12 report
lattice v atom	1.489 10^7 pm^3	0	C15 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 6 report
lattice v atom	1.489 10^7 pm^3	0	C36 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 14 report
lattice v atom	1.862 10^7 pm^3	0	C36 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 18 report
lattice v atom	1.674 10^7 pm^3	0	C36 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 15 report
lattice v atom	1.784 10^7 pm^3	0	C36 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 16 report
lattice v atom	1.771 10^7 pm^3	0	C36 alloy: V 0.166667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 17 report
lattice v atom	1.812 10^7 pm^3	0	NM BCC Ta alloy: V 0	DFT	[3] Pavlů 2011	Table 1, p. 3, row 4 report
lattice v atom	1.44 10^7 pm^3	298.15	C14 alloy: V 0.666667	experimental	[3] Pavlů 2011 cites Villars 1991	Table 2, p. 3, row 1 report
lattice v atom	1.527 10^7 pm^3	298.15	C15 alloy: V 0.666667	experimental	[3] Pavlů 2011 cites Villars 1991	Table 2, p. 3, row 2 report
lattice v atom	1.8 10^7 pm^3	298.15	NM BCC Ta alloy: V 0	experimental	[3] Pavlů 2011 cites Villars 1991	Table 1, p. 3, row 3 report
site fractional coordinates		0	C14 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 8 report
site fractional coordinates		0	C14 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 8 report
site fractional coordinates		0	C14 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 5 report
site fractional coordinates		0	C14 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 5 report
site fractional coordinates		0	C14 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 7 report
site fractional coordinates		0	C14 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 7 report
site fractional coordinates		0	C14 alloy: V 0.166667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 10 report
site fractional coordinates		0	C14 alloy: V 0.166667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 10 report
site fractional coordinates		0	C14 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 11 report
site fractional coordinates		0	C14 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 11 report
site fractional coordinates		0	C36 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 14 report
site fractional coordinates		0	C36 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 14 report
site fractional coordinates		0	C36 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 14 report
site fractional coordinates		0	C36 alloy: V 0.666667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 14 report
site fractional coordinates		0	C36 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 18 report
site fractional coordinates		0	C36 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 18 report
site fractional coordinates		0	C36 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 18 report
site fractional coordinates		0	C36 alloy: V 0	DFT	[3] Pavlů 2011	Table 2, p. 3, row 18 report
site fractional coordinates		0	C36 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 15 report
site fractional coordinates		0	C36 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 15 report
site fractional coordinates		0	C36 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 15 report
site fractional coordinates		0	C36 alloy: V 0.5	DFT	[3] Pavlů 2011	Table 2, p. 3, row 15 report
site fractional coordinates		0	C36 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 16 report
site fractional coordinates		0	C36 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 16 report
site fractional coordinates		0	C36 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 16 report
site fractional coordinates		0	C36 alloy: V 0.333333	DFT	[3] Pavlů 2011	Table 2, p. 3, row 16 report
site fractional coordinates		0	C36 alloy: V 0.166667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 17 report
site fractional coordinates		0	C36 alloy: V 0.166667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 17 report
site fractional coordinates		0	C36 alloy: V 0.166667	DFT	[3] Pavlů 2011	Table 2, p. 3, row 17 report
site fractional coordinates		0	C36 alloy: V 0.166667	DFT	[3] Pavlů 2011	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).

C.A Danon, C Servant, A thermodynamic evaluation of the Ta–V system, Journal of Alloys and Compounds 366, 191-200 (2004). doi:10.1016/s0925-8388(03)00728-x
P. Broz, A.U. Khan, H. Niu, X.-Q. Chen, D. Li, J. Vrestal et al., The system Ta–V–Si: Thermodynamic modeling, Journal of Solid State Chemistry 199, 171-180 (2013). doi:10.1016/j.jssc.2012.12.003
J. Pavlů, J. Vřešt’ál, X.-Q. Chen, P. Rogl, Thermodynamic modeling of Laves phases in the Ta–V system: Reassessment using first-principles results, Calphad 35, 103-108 (2011). doi:10.1016/j.calphad.2010.12.002

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}
}