Np–U system

0 accepted literature values from 0 paper(s); 2 calculated phase diagram(s).

Data: interactive phase diagram · phases (9) · papers (bibliography) · Markdown

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
NpU-10Kur.tdb	M. Kurata, IOP Conf. Ser.: Mater. Sci. Eng., 9, 012023(2010).	`f85b49b94decbbeefe9a824e17f4121a19093cc3753a579c8652a5c165bffad6`	viewer · TDB · JSON
NpU-18Xie.tdb	W. Xie, D. Morgan, Comput. Mater. Sci., 143, 505-14(2018). doi:10.1016/j.commatsci.2017.11.042	`1d2cc8e207135d92f81ab45fa040dcb93e08563b16c7d94931fb5d5df86a73f6`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
NpU-10Kur.tdb	941.28	BCC_A2 (x(U) 0.64671) + NPU_ZETA (x(U) 0.6658) + TETRAGONAL_U (x(U) 0.69334)
NpU-10Kur.tdb	918.16	NPU_ZETA (x(U) 0.71951) + TETRAGONAL_U (x(U) 0.74829) + ORTHORHOMBIC_A20 (x(U) 0.75387)
NpU-10Kur.tdb	884.84	BCC_A2 (x(U) 0.25337) + TETRAG_AD (x(U) 0.26653) + NPU_ZETA (x(U) 0.29497)
NpU-10Kur.tdb	514.2	ORTHO_AC (x(U) 0.04251) + TETRAG_AD (x(U) 0.11713) + NPU_ZETA (x(U) 0.25697)
NpU-10Kur.tdb	320.92	ORTHO_AC (x(U) 0.04146) + NPU_ZETA (x(U) 0.47008) + ORTHORHOMBIC_A20 (x(U) 0.53691)
NpU-18Xie.tdb	941.56	NPU_ZETA (x(U) 0.6004) + BCC_A2 (x(U) 0.61318) + TETRAGONAL_U (x(U) 0.69546)
NpU-18Xie.tdb	914.55	NPU_ZETA (x(U) 0.63408) + TETRAGONAL_U (x(U) 0.71527) + ORTHORHOMBIC_A20 (x(U) 0.72576)
NpU-18Xie.tdb	881.43	TETRAG_AD (x(U) 0.16881) + BCC_A2 (x(U) 0.21009) + NPU_ZETA (x(U) 0.31773)
NpU-18Xie.tdb	458.9	ORTHO_AC (x(U) 0.1032) + TETRAG_AD (x(U) 0.15978) + NPU_ZETA (x(U) 0.23414)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull NpU-10Kur

Please cite

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 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); the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work). 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_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}
}