Ni–Pt system

24 accepted literature values from 2 paper(s) (experimental 4, model 4, DFT 16); 1 calculated phase diagram(s). 2 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	4
model	4
DFT	16

Accepted values by property group
Property group	Values
formation	17
mixing / partial	1
crystal structure	6

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
NiPt-09Lu.tdb	X.-G. Lu, B. Sundman, J. Agren, Calphad, 33, 450-56(2009). doi:10.1016/j.calphad.2009.06.002	`fe66306490091640c906c52aced3068bff59ed287a8c015a506cc175bdc3a53b`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
NiPt-09Lu.tdb	850.27	FCC_4SL#2 (x(Pt) 0.39125) + FCC_A1 (x(Pt) 0.39443) + FCC_4SL (x(Pt) 0.41833)
NiPt-09Lu.tdb	850.27	FCC_4SL#2 (x(Pt) 0.39125) + FCC_A1 (x(Pt) 0.39443) + FCC_4SL (x(Pt) 0.41833)
NiPt-09Lu.tdb	850.27	FCC_4SL#2 (x(Pt) 0.39125) + FCC_A1 (x(Pt) 0.39443) + FCC_4SL (x(Pt) 0.41833)
NiPt-09Lu.tdb	850.27	FCC_4SL (x(Pt) 0.39125) + FCC_A1 (x(Pt) 0.39443) + FCC_4SL#2 (x(Pt) 0.41833)
NiPt-09Lu.tdb	785.87	FCC_4SL#3 (x(Pt) 0.58696) + FCC_4SL (x(Pt) 0.63305) + FCC_4SL#2 (x(Pt) 0.63305)
NiPt-09Lu.tdb	782.99	FCC_4SL#2 (x(Pt) 0.58831) + FCC_4SL (x(Pt) 0.63305) + FCC_4SL#3 (x(Pt) 0.63466)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

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, Ni–Pt system (17)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Ni3Pt–L12	Ni3Pt	-10.9 kJ/mol-atom	0	model	-6.691 (mp-aaaaasyg)	-7.337 (oqmd-19455)	[1] Lu 2009	Table 1, p. 3, row 12 report
Ni3Pt–L12		-8.75 kJ/mol-atom	0	DFT			[1] Lu 2009 cites Ruban 1995 doi	Table 1, p. 3, row 5 report
Ni3Pt–L12		-8.27 kJ/mol-atom	0	DFT			[1] Lu 2009 cites Amador 1993 doi	Table 1, p. 3, row 1 report
Ni3Pt–L12		-6.57 kJ/mol-atom	0	DFT			[1] Lu 2009	Table 1, p. 3, row 8 report
NiPt	NiPt	-9.27 kJ/mol-atom	298.15	experimental	-9.177 (mp-aaaaabkj)	-9.756 (oqmd-17788)	[2] Kim 2011 cites Walker 1970 doi	Table 4, p. 4, row 13 report
NiPt		-8.98 kJ/mol-atom	0	DFT			[2] Kim 2011 cites Lu 2009 doi	Table 4, p. 4, row 12 report
NiPt3–L12		-11.98 kJ/mol-atom	0	DFT			[1] Lu 2009 cites Ruban 1995 doi	Table 1, p. 3, row 7 report
NiPt3–L12		-8.4 kJ/mol-atom	0	DFT			[1] Lu 2009 cites Amador 1993 doi	Table 1, p. 3, row 3 report
NiPt3–L12	NiPt3	-8.3 kJ/mol-atom	0	model	-6.12 (mp-aaacpmpx)	-6.845 (oqmd-347552)	[1] Lu 2009	Table 1, p. 3, row 14 report
NiPt3–L12		-6.31 kJ/mol-atom	0	DFT			[1] Lu 2009	Table 1, p. 3, row 10 report
NiPt–L10	NiPt	-13.5 kJ/mol-atom	0	model	-9.177 (mp-aaaaabkj)	-9.756 (oqmd-17788)	[1] Lu 2009	Table 1, p. 3, row 13 report
NiPt–L10		-11.76 kJ/mol-atom	0	DFT			[1] Lu 2009 cites Ruban 1995 doi	Table 1, p. 3, row 6 report
NiPt–L10		-11.42 kJ/mol-atom	0	DFT			[1] Lu 2009 cites Amador 1993 doi	Table 1, p. 3, row 2 report
NiPt–L10	NiPt	-9.27 kJ/mol-atom	298.15	experimental	-9.177 (mp-aaaaabkj)	-9.756 (oqmd-17788)	[1] Lu 2009 cites Hultgren 1973	Table 1, p. 3, row 15 report
NiPt–L10		-9.23 kJ/mol-atom	0	DFT			[1] Lu 2009 cites Lu 1993 doi	Table 1, p. 3, row 4 report
NiPt–L10		-8.98 kJ/mol-atom	0	DFT			[1] Lu 2009	Table 1, p. 3, row 11 report
NiPt–L10		-7.64 kJ/mol-atom	0	DFT			[1] Lu 2009	Table 1, p. 3, row 9 report

Other properties

Mixing / partial (1)

Mixing / partial, Ni–Pt system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Enthalpy of mixing printed: ΔHmix	-7.643 kJ/mol-atom	300	Ni3Pt alloy: Pt 0.25	model	[2] Kim 2011 cites Lu 2009 doi	Table 4, p. 4, row 14 report

Crystal structure (6)

Crystal structure, Ni–Pt system
Property	Value	Phases / composition	Class	Source	Location
Lattice a printed: a	3.659 Å	Ni3Pt alloy: Pt 0.25	DFT	[2] Kim 2011	Table 4, p. 4, row 1 report
Lattice a printed: a	3.844 Å	NiPt alloy: Pt 0.5	DFT	[2] Kim 2011	Table 4, p. 4, row 1 report
Lattice a printed: a	3.873 Å	NiPt alloy: Pt 0.5	experimental	[2] Kim 2011 cites Esch 1944	Table 4, p. 4, row 2 report
Lattice a printed: a	3.88 Å	NiPt3 alloy: Pt 0.75	DFT	[2] Kim 2011	Table 4, p. 4, row 1 report
Lattice c printed: c	3.589 Å	NiPt alloy: Pt 0.5	experimental	[2] Kim 2011 cites Esch 1944	Table 4, p. 4, row 4 report
Lattice c printed: c	3.625 Å	NiPt alloy: Pt 0.5	DFT	[2] Kim 2011	Table 4, p. 4, row 3 report

Sources

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

Xiao-Gang Lu, Bo Sundman, John A˚gren, Thermodynamic assessments of the Ni–Pt and Al–Ni–Pt systems, Calphad 33, 450-456 (2009). doi:10.1016/j.calphad.2009.06.002
DongEung Kim, James E. Saal, Liangcai Zhou, ShunLi Shang, Yong Du, Zi-Kui Liu, Thermodynamic modeling of fcc order/disorder transformations in the Co–Pt system, Calphad 35, 323-330 (2011). doi:10.1016/j.calphad.2011.04.005

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}
}