Mo–Ni–Ta system

56 accepted literature values from 2 paper(s) (experimental 42, DFT 14); 0 calculated phase diagram(s).

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

Accepted values by evidence class
Evidence class	Values
experimental	42
DFT	14

Accepted values by property group
Property group	Values
phase equilibrium	42
formation	8
mixing / partial	6

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–Ni–Ta system (8)
Phase	Value	Class	Source	Location
Ni24Mo20Ta12	-10.08 kJ/mol-atom	DFT	[1] Zhou 2009	Table 6, p. 7, row 28 report
Ni24Ni20Ta12	-16.48 kJ/mol-atom	DFT	[1] Zhou 2009	Table 6, p. 7, row 29 report
Ni24Ta20Mo12	-16.79 kJ/mol-atom	DFT	[1] Zhou 2009	Table 6, p. 7, row 27 report
Ni24Ta20Ta12	0.62 kJ/mol-atom	DFT	[1] Zhou 2009	Table 6, p. 7, row 30 report
δ	-16.79 kJ/mol-atom	DFT	[1] Zhou 2009	Table 6, p. 7, row 27 report
δ	-16.48 kJ/mol-atom	DFT	[1] Zhou 2009	Table 6, p. 7, row 29 report
δ	-10.08 kJ/mol-atom	DFT	[1] Zhou 2009	Table 6, p. 7, row 28 report
δ	0.62 kJ/mol-atom	DFT	[1] Zhou 2009	Table 6, p. 7, row 30 report

Other properties

Phase equilibrium (42)

Phase equilibrium, Mo–Ni–Ta system
Property	T (K)	Phases / composition	Class	Source	Location
Phase composition	1173	Ni2Ta + NiTa Ni2Ta: Mo 0, Ni 0.663, Ta 0.337; NiTa: Mo 0.006, Ni 0.472, Ta 0.522	experimental	[2] Cui 1999	Table III, p. 4, row 3 report
Phase composition	1173	Ni3(MO, Ta) + NiMo Ni3(MO, Ta): Mo 0.153, Ni 0.754, Ta 0.093; NiMo: Mo 0.508, Ni 0.492, Ta 0	experimental	[2] Cui 1999	Table III, p. 4, row 1 report
Phase composition	1173	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0, Ni 0.754, Ta 0.246; Fcc: Mo 0.003, Ni 0.882, Ta 0.115	experimental	[2] Cui 1999	Table III, p. 4, row 4 report
Phase composition	1173	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.193, Ni 0.762, Ta 0.045; Fcc: Mo 0.157, Ni 0.829, Ta 0.014	experimental	[2] Cui 1999	Table III, p. 4, row 5 report
Phase composition	1173	Ni3(Mo, Ta) + Ni2Ta Ni3(Mo, Ta): Mo 0.01, Ni 0.731, Ta 0.259; Ni2Ta: Mo 0.007, Ni 0.671, Ta 0.322	experimental	[2] Cui 1999	Table III, p. 4, row 2 report
Phase composition	1373	Ni2Ta + Ni3(Mo, Ta) Ni2Ta: Mo 0.001, Ni 0.669, Ta 0.33; Ni3(Mo, Ta): Mo 0.001, Ni 0.75, Ta 0.249	experimental	[2] Cui 1999	Table II, p. 3, row 7 report
Phase composition	1373	Ni2Ta + Ni3(Mo, Ta) + Bcc Ni2Ta: Mo 0.003, Ni 0.663, Ta 0.334; Ni3(Mo, Ta): Mo 0.007, Ni 0.735, Ta 0.258; Bcc: Mo 0.617, Ni 0.136, Ta 0.247	experimental	[2] Cui 1999	Table II, p. 3, row 10 report
Phase composition	1373	Ni3(Mo, Ta) + Bcc Ni3(Mo, Ta): Mo 0.172, Ni 0.752, Ta 0.076	experimental	[2] Cui 1999	Table II, p. 3, row 3 report
Phase composition	1373	Ni3(Mo, Ta) + Bcc Ni3(Mo, Ta): Mo 0.019, Ni 0.752, Ta 0.229; Bcc: Mo 0.918, Ni 0.028, Ta 0.054	experimental	[2] Cui 1999	Table II, p. 3, row 2 report
Phase composition	1373	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.088, Ni 0.772, Ta 0.14; Fcc: Mo 0.109, Ni 0.839, Ta 0.052	experimental	[2] Cui 1999	Table II, p. 3, row 5 report
Phase composition	1373	Ni3(Mo, Ta) + NiMo Ni3(Mo, Ta): Mo 0.164, Ni 0.744, Ta 0.092; NiMo: Mo 0.5, Ni 0.493, Ta 0.007	experimental	[2] Cui 1999	Table II, p. 3, row 1 report
Phase composition	1373	NiMo + Ni3(Mo, Ta) + Bcc Ni3(Mo, Ta): Mo 0.124, Ni 0.748, Ta 0.128	experimental	[2] Cui 1999	Table II, p. 3, row 9 report
Phase composition	1373	NiTa + Ni2Ta NiTa: Mo 0.001, Ni 0.495, Ta 0.504; Ni2Ta: Mo 0.001, Ni 0.673, Ta 0.326	experimental	[2] Cui 1999	Table II, p. 3, row 8 report
Phase composition	1373	NiTa2 + Bcc NiTa2: Mo 0.002, Ni 0.336, Ta 0.662; Bcc: Mo 0.004, Ni 0.011, Ta 0.985	experimental	[2] Cui 1999	Table II, p. 3, row 6 report
Phase composition	1373	fcc + NiMo fcc: Mo 0.218, Ni 0.759, Ta 0.023; NiMo: Mo 0.488, Ni 0.507, Ta 0.005	experimental	[2] Cui 1999	Table II, p. 3, row 4 report
Phase composition	1473	Ni2Ta + Ni3(Mo, Ta) Ni2Ta: Mo 0.001, Ni 0.657, Ta 0.342; Ni3(Mo, Ta): Mo 0.001, Ni 0.742, Ta 0.257	experimental	[2] Cui 1999	Table I, p. 3, row 11 report
Phase composition	1473	Ni2Ta + Ni3(Mo, Ta) + Bcc Ni2Ta: Mo 0.001, Ni 0.665, Ta 0.334; Ni3(Mo, Ta): Mo 0.03, Ni 0.709, Ta 0.261; Bcc: Mo 0.558, Ni 0.028, Ta 0.414	experimental	[2] Cui 1999	Table I, p. 3, row 27 report
Phase composition	1473	Ni3(Mo, Ta) + Bcc Ni3(Mo, Ta): Mo 0.022, Ni 0.751, Ta 0.227; Bcc: Mo 0.878, Ni 0.02, Ta 0.102	experimental	[2] Cui 1999	Table I, p. 3, row 15 report
Phase composition	1473	Ni3(Mo, Ta) + Bcc Bcc: Mo 0.75, Ni 0.025, Ta 0.225	experimental	[2] Cui 1999	Table I, p. 3, row 14 report
Phase composition	1473	Ni3(Mo, Ta) + Bcc Ni3(Mo, Ta): Mo 0.015, Ni 0.739, Ta 0.246; Bcc: Mo 0.747, Ni 0.048, Ta 0.205	experimental	[2] Cui 1999	Table I, p. 3, row 13 report
Phase composition	1473	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.11, Ni 0.753, Ta 0.137; Fcc: Mo 0.18, Ni 0.77, Ta 0.05	experimental	[2] Cui 1999	Table I, p. 3, row 17 report
Phase composition	1473	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.001, Ni 0.777, Ta 0.222; Fcc: Mo 0.033, Ni 0.863, Ta 0.104	experimental	[2] Cui 1999	Table I, p. 3, row 22 report
Phase composition	1473	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.094, Ni 0.76, Ta 0.146; Fcc: Mo 0.101, Ni 0.831, Ta 0.068	experimental	[2] Cui 1999	Table I, p. 3, row 25 report
Phase composition	1473	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.115, Ni 0.75, Ta 0.135; Fcc: Mo 0.19, Ni 0.764, Ta 0.046	experimental	[2] Cui 1999	Table I, p. 3, row 18 report
Phase composition	1473	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.021, Ni 0.766, Ta 0.213; Fcc: Mo 0.053, Ni 0.853, Ta 0.094	experimental	[2] Cui 1999	Table I, p. 3, row 23 report
Phase composition	1473	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.05, Ni 0.767, Ta 0.183; Fcc: Mo 0.08, Ni 0.84, Ta 0.08	experimental	[2] Cui 1999	Table I, p. 3, row 24 report
Phase composition	1473	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.001, Ni 0.765, Ta 0.234; Fcc: Mo 0.008, Ni 0.87, Ta 0.122	experimental	[2] Cui 1999	Table I, p. 3, row 16 report
Phase composition	1473	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.104, Ni 0.763, Ta 0.133; Fcc: Mo 0.129, Ni 0.811, Ta 0.06	experimental	[2] Cui 1999	Table I, p. 3, row 21 report
Phase composition	1473	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.127, Ni 0.753, Ta 0.12; Fcc: Mo 0.188, Ni 0.769, Ta 0.043	experimental	[2] Cui 1999	Table I, p. 3, row 20 report
Phase composition	1473	Ni3(Mo, Ta) + Fcc Ni3(Mo, Ta): Mo 0.12, Ni 0.756, Ta 0.124; Fcc: Mo 0.196, Ni 0.762, Ta 0.042	experimental	[2] Cui 1999	Table I, p. 3, row 19 report
Phase composition	1473	Ni3(Mo, Ta) + NiMo Ni3(Mo, Ta): Mo 0.12, Ni 0.749, Ta 0.131; NiMo: Mo 0.471, Ni 0.507, Ta 0.022	experimental	[2] Cui 1999	Table I, p. 3, row 4 report
Phase composition	1473	Ni3(Mo, Ta) + NiMo Ni3(Mo, Ta): Mo 0.121, Ni 0.752, Ta 0.127; NiMo: Mo 0.455, Ni 0.521, Ta 0.024	experimental	[2] Cui 1999	Table I, p. 3, row 1 report
Phase composition	1473	Ni3(Mo, Ta) + NiMo Ni3(Mo, Ta): Mo 0.11, Ni 0.757, Ta 0.133; NiMo: Mo 0.466, Ni 0.514, Ta 0.02	experimental	[2] Cui 1999	Table I, p. 3, row 3 report
Phase composition	1473	Ni3(Mo, Ta) + NiMo Ni3(Mo, Ta): Mo 0.121, Ni 0.752, Ta 0.127; NiMo: Mo 0.455, Ni 0.521, Ta 0.024	experimental	[2] Cui 1999	Table I, p. 3, row 2 report
Phase composition	1473	NiMo + Bcc NiMo: Mo 0.477, Ni 0.498, Ta 0.025; Bcc: Mo 0.939, Ni 0.021, Ta 0.04	experimental	[2] Cui 1999	Table I, p. 3, row 8 report
Phase composition	1473	NiMo + Fcc NiMo: Mo 0.485, Ni 0.499, Ta 0.016; Fcc: Mo 0.201, Ni 0.757, Ta 0.042	experimental	[2] Cui 1999	Table I, p. 3, row 6 report
Phase composition	1473	NiMo + Fcc NiMo: Mo 0.483, Ni 0.51, Ta 0.007; Fcc: Mo 0.18, Ni 0.74, Ta 0.08	experimental	[2] Cui 1999	Table I, p. 3, row 7 report
Phase composition	1473	NiMo + Fcc NiMo: Mo 0.466, Ni 0.517, Ta 0.017; Fcc: Mo 0.196, Ni 0.763, Ta 0.041	experimental	[2] Cui 1999	Table I, p. 3, row 5 report
Phase composition	1473	NiMo + Ni3(Mo, Ta) + Fcc NiMo: Mo 0.457, Ni 0.524, Ta 0.019; Ni3(Mo, Ta): Mo 0.154, Ni 0.734, Ta 0.112; Fcc: Mo 0.196, Ni 0.763, Ta 0.041	experimental	[2] Cui 1999	Table I, p. 3, row 12 report
Phase composition	1473	NiTa + Bcc NiTa: Mo 0.018, Ni 0.442, Ta 0.54; Bcc: Mo 0.378, Ni 0.02, Ta 0.602	experimental	[2] Cui 1999	Table I, p. 3, row 9 report
Phase composition	1473	NiTa + Bcc NiTa: Mo 0.035, Ni 0.466, Ta 0.499; Bcc: Mo 0.498, Ni 0.011, Ta 0.491	experimental	[2] Cui 1999	Table I, p. 3, row 10 report
Phase composition	1473	NiTa + Ni2Ta NiTa: Mo 0.057, Ni 0.472, Ta 0.471; Ni2Ta: Mo 0.003, Ni 0.648, Ta 0.349	experimental	[2] Cui 1999	Table I, p. 3, row 26 report

Mixing / partial (6)

Mixing / partial, Mo–Ni–Ta system
Property	Value	Phases / composition	Class	Source	Location
Enthalpy of mixing printed: ΔH	-12.16 kJ/mol-atom	A1 fcc-SQS16 alloy: Ni 0.25, Ta 0.75	DFT	[1] Zhou 2009	Table 6, p. 7, row 10 report
Enthalpy of mixing printed: ΔH	-7.54 kJ/mol-atom	A1 fcc-SQS16 alloy: Ni 0.5, Ta 0.5	DFT	[1] Zhou 2009	Table 6, p. 7, row 11 report
Enthalpy of mixing printed: ΔH	-9.28 kJ/mol-atom	A1 fcc-SQS16 alloy: Ni 0.75, Ta 0.25	DFT	[1] Zhou 2009	Table 6, p. 7, row 12 report
Enthalpy of mixing printed: ΔH	0.588 kJ/mol-atom	A2 bcc-SQS16 alloy: Ni 0.25, Ta 0.75	DFT	[1] Zhou 2009	Table 6, p. 7, row 7 report
Enthalpy of mixing printed: ΔH	-5.17 kJ/mol-atom	A2 bcc-SQS16 alloy: Ni 0.75, Ta 0.25	DFT	[1] Zhou 2009	Table 6, p. 7, row 9 report
Enthalpy of mixing printed: ΔH	-0.23 kJ/mol-atom	A2 bcc-SQS16 alloy: Ni 0.5, Ta 0.5	DFT	[1] Zhou 2009	Table 6, p. 7, row 8 report

Sources

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

S.H. Zhou, Y. Wang, L.-Q. Chen, Z.-K. Liu, R.E. Napolitano, Solution-based thermodynamic modeling of the Ni–Ta and Ni–Mo–Ta systems using first-principle calculations, Calphad 33, 631-641 (2009). doi:10.1016/j.calphad.2009.06.006
Yuwen Cui, Zhanpeng Jin, Xiaogang Lu, Experimental study and thermodynamic assessment of the Ni-Mo-Ta ternary system, Metall Mater Trans A 30, 2735-2744 (1999). doi:10.1007/s11661-999-0110-0

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}
}