Al–Np system

27 accepted literature values from 1 paper(s) (DFT 27); 1 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (8) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
DFT	27

Accepted values by property group
Property group	Values
formation	6
heat capacity / entropy / enthalpy	12
crystal structure	9

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
AlNp-10Sed.tdb	D. Sedmidubsky, R.J.M. Konings, P. Soucek, J. Nucl. Mater., 397, 1-7(2010). doi:10.1016/j.jnucmat.2009.11.023	`34943cc0a95229e541cfd9adbb3c7ed1b1d2057d343fa51950ed744d6d50fa7c`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
AlNp-10Sed.tdb	1608.43	LIQUID (x(Np) 0.22289) + AL3NP_L12 (x(Np) 0.25) + AL2NP_C15 (x(Np) 0.33333)
AlNp-10Sed.tdb	1085.08	LIQUID (x(Np) 0.03953) + AL4NP_D1B (x(Np) 0.2) + AL3NP_L12 (x(Np) 0.25)
AlNp-10Sed.tdb	926.2	FCC_A1 (x(Np) 0) + LIQUID (x(Np) 0.00998) + AL4NP_D1B (x(Np) 0.2)
AlNp-10Sed.tdb	917.21	AL2NP_C15 (x(Np) 0.33333) + LIQUID (x(Np) 0.99754) + BCC_A2 (x(Np) 0.99824)
AlNp-10Sed.tdb	917.21	AL2NP_C15 (x(Np) 0.33333) + LIQUID (x(Np) 0.99761) + BCC_A2 (x(Np) 0.99828)
AlNp-10Sed.tdb	654.68	AL2NP_C15 (x(Np) 0.33333) + BCC_A2 (x(Np) 0.99991) + ORTHO_AC (x(Np) 1)
AlNp-10Sed.tdb	654.68	AL2NP_C15 (x(Np) 0.33333) + BCC_A2 (x(Np) 0.99991) + ORTHO_AC (x(Np) 1)

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, Al–Np system (3)
Phase	Value	Class	Source	Location
NpAl2	-110.2 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 2 report
NpAl3	-122.9 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 5 report
NpAl4	-105.6 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 10 report

Other properties

Formation (3)

Formation, Al–Np 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	NpAl2 alloy: Np 0.333333	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	NpAl3 alloy: Np 0.25	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	NpAl4 alloy: Np 0.2	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 10 report

Heat capacity / entropy / enthalpy (12)

Heat capacity / entropy / enthalpy, Al–Np 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	NpAl2 alloy: Np 0.333333	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	NpAl2 alloy: Np 0.333333	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 2 report
heat content contribution printed: H°298 - H°0 (ph.)	32.1 kJ mol^-1	298.15	NpAl3 alloy: Np 0.25	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 5 report
heat content contribution printed: H°298 - H°0 (el.)	0.39 kJ mol^-1	298.15	NpAl3 alloy: Np 0.25	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 5 report
heat content contribution printed: H°298 - H°0 (el.)	0.51 kJ mol^-1	298.15	NpAl4 alloy: Np 0.2	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 10 report
heat content contribution printed: H°298 - H°0 (ph.)	40.5 kJ mol^-1	298.15	NpAl4 alloy: Np 0.2	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 10 report
sm contribution printed: S°298 (el.)	5.2 J/mol (basis unstated)/K	298.15	NpAl2 alloy: Np 0.333333	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 2 report
sm contribution printed: S°298 (ph.)	99.5 J/mol (basis unstated)/K	298.15	NpAl2 alloy: Np 0.333333	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 2 report
sm contribution printed: S°298 (ph.)	120.6 J/mol (basis unstated)/K	298.15	NpAl3 alloy: Np 0.25	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 5 report
sm contribution printed: S°298 (el.)	2.6 J/mol (basis unstated)/K	298.15	NpAl3 alloy: Np 0.25	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	NpAl4 alloy: Np 0.2	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	NpAl4 alloy: Np 0.2	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 10 report

Crystal structure (9)

Crystal structure, Al–Np system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	7.785 Å	298.15	NpAl2 alloy: Np 0.333333	DFT	[1] Sedmidubský 2010 cites Runnalls 1953	Table 1, p. 2, row 2 report
Lattice a	4.26 Å	298.15	NpAl3 alloy: Np 0.25	DFT	[1] Sedmidubský 2010 cites Mitchell 1974 doi	Table 1, p. 2, row 5 report
Lattice a	4.42 Å	298.15	NpAl4 alloy: Np 0.2	DFT	[1] Sedmidubský 2010 cites Runnalls 1953	Table 1, p. 2, row 9 report
Lattice b	7.785 Å	298.15	NpAl2 alloy: Np 0.333333	DFT	[1] Sedmidubský 2010 cites Runnalls 1953	Table 1, p. 2, row 2 report
Lattice b	4.26 Å	298.15	NpAl3 alloy: Np 0.25	DFT	[1] Sedmidubský 2010 cites Mitchell 1974 doi	Table 1, p. 2, row 5 report
Lattice b	6.26 Å	298.15	NpAl4 alloy: Np 0.2	DFT	[1] Sedmidubský 2010 cites Runnalls 1953	Table 1, p. 2, row 9 report
Lattice c	7.785 Å	298.15	NpAl2 alloy: Np 0.333333	DFT	[1] Sedmidubský 2010 cites Runnalls 1953	Table 1, p. 2, row 2 report
Lattice c	4.26 Å	298.15	NpAl3 alloy: Np 0.25	DFT	[1] Sedmidubský 2010 cites Mitchell 1974 doi	Table 1, p. 2, row 5 report
Lattice c	13.71 Å	298.15	NpAl4 alloy: Np 0.2	DFT	[1] Sedmidubský 2010 cites Runnalls 1953	Table 1, p. 2, row 9 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-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}
}