Al–Np–Pu–U system

36 accepted literature values from 1 paper(s) (DFT 36); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
DFT	36

Accepted values by property group
Property group	Values
formation	12
heat capacity / entropy / enthalpy	24

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, Al–Np–Pu–U system (6)
Phase	Value	Class	Source	Location
NpA12	-110.2 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 2 report
NpA13	-122.9 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 5 report
NpA14	-105.6 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 10 report
PuA12	-159.2 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 3 report
UA12	-86.1 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 1 report
UA13	-87 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 4 report

Other properties

Formation (6)

Formation, Al–Np–Pu–U system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy of formation printed: ΔfS°298	-2.3 J/mol (basis unstated)/K	298.15	NpA12 alloy: Np 0.333333, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 2 report
Entropy of formation printed: ΔfS°298	-12.1 J/mol (basis unstated)/K	298.15	NpA13 alloy: Np 0.25, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 5 report
Entropy of formation printed: ΔfS°298	-8.1 J/mol (basis unstated)/K	298.15	NpA14 alloy: Np 0.2, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 10 report
Entropy of formation printed: ΔfS°298	-1.4 J/mol (basis unstated)/K	298.15	PuA12 alloy: Np 0, Pu 0.333333, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 3 report
Entropy of formation printed: ΔfS°298	-1.1 J/mol (basis unstated)/K	298.15	UA12 alloy: Np 0, Pu 0, U 0.333333	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 1 report
Entropy of formation printed: ΔfS°298	-13.1 J/mol (basis unstated)/K	298.15	UA13 alloy: Np 0, Pu 0, U 0.25	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 4 report

Heat capacity / entropy / enthalpy (24)

Heat capacity / entropy / enthalpy, Al–Np–Pu–U system
Property	Value	T (K)	Phases / composition	Class	Source	Location
heat content contribution printed: H°298 − H°0 (el.)	0.78 kJ mol−1	298.15	NpA12 alloy: Np 0.333333, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 2 report
heat content contribution printed: H°298 − H°0 (ph.)	24.2 kJ mol−1	298.15	NpA12 alloy: Np 0.333333, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 2 report
heat content contribution printed: H°298 − H°0 (el.)	0.39 kJ mol−1	298.15	NpA13 alloy: Np 0.25, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 5 report
heat content contribution printed: H°298 − H°0 (ph.)	32.1 kJ mol−1	298.15	NpA13 alloy: Np 0.25, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 5 report
heat content contribution printed: H°298 − H°0 (ph.)	40.5 kJ mol−1	298.15	NpA14 alloy: Np 0.2, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 10 report
heat content contribution printed: H°298 − H°0 (el.)	0.51 kJ mol−1	298.15	NpA14 alloy: Np 0.2, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 10 report
heat content contribution printed: H°298 − H°0 (ph.)	24.1 kJ mol−1	298.15	PuA12 alloy: Np 0, Pu 0.333333, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 3 report
heat content contribution printed: H°298 − H°0 (el.)	0.64 kJ mol−1	298.15	PuA12 alloy: Np 0, Pu 0.333333, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 3 report
heat content contribution printed: H°298 − H°0 (el.)	0.67 kJ mol−1	298.15	UA12 alloy: Np 0, Pu 0, U 0.333333	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 1 report
heat content contribution printed: H°298 − H°0 (ph.)	24.2 kJ mol−1	298.15	UA12 alloy: Np 0, Pu 0, U 0.333333	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 1 report
heat content contribution printed: H°298 − H°0 (el.)	0.65 kJ mol−1	298.15	UA13 alloy: Np 0, Pu 0, U 0.25	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 4 report
heat content contribution printed: H°298 − H°0 (ph.)	32.3 kJ mol−1	298.15	UA13 alloy: Np 0, Pu 0, U 0.25	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 4 report
sm contribution printed: S°298 (ph.)	99.5 J/mol (basis unstated)/K	298.15	NpA12 alloy: Np 0.333333, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 2 report
sm contribution printed: S°298 (el.)	5.2 J/mol (basis unstated)/K	298.15	NpA12 alloy: Np 0.333333, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 2 report
sm contribution printed: S°298 (el.)	2.6 J/mol (basis unstated)/K	298.15	NpA13 alloy: Np 0.25, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 5 report
sm contribution printed: S°298 (ph.)	120.6 J/mol (basis unstated)/K	298.15	NpA13 alloy: Np 0.25, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 5 report
sm contribution printed: S°298 (ph.)	152.1 J/mol (basis unstated)/K	298.15	NpA14 alloy: Np 0.2, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 10 report
sm contribution printed: S°298 (el.)	3.4 J/mol (basis unstated)/K	298.15	NpA14 alloy: Np 0.2, Pu 0, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 10 report
sm contribution printed: S°298 (el.)	4.3 J/mol (basis unstated)/K	298.15	PuA12 alloy: Np 0, Pu 0.333333, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 3 report
sm contribution printed: S°298 (ph.)	105.3 J/mol (basis unstated)/K	298.15	PuA12 alloy: Np 0, Pu 0.333333, U 0	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 3 report
sm contribution printed: S°298 (el.)	4.5 J/mol (basis unstated)/K	298.15	UA12 alloy: Np 0, Pu 0, U 0.333333	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 1 report
sm contribution printed: S°298 (ph.)	101.2 J/mol (basis unstated)/K	298.15	UA12 alloy: Np 0, Pu 0, U 0.333333	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 1 report
sm contribution printed: S°298 (ph.)	117.5 J/mol (basis unstated)/K	298.15	UA13 alloy: Np 0, Pu 0, U 0.25	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 4 report
sm contribution printed: S°298 (el.)	4.4 J/mol (basis unstated)/K	298.15	UA13 alloy: Np 0, Pu 0, U 0.25	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 4 report

Sources

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

D. Sedmidubský, R.J.M. Konings, P. Souček, Ab-initio calculations and phase diagram assessments of An–Al systems (An= U, Np, Pu), Journal of Nuclear Materials 397, 1-7 (2010). doi:10.1016/j.jnucmat.2009.11.023

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}
}