Thermodynamic properties of the Nd-Bi system via emf measurements, DFT calculations, machine learning, and CALPHAD modeling

Sanghyeok Im, Shun-Li Shang, Nathan D. Smith, Adam M. Krajewski, Timothy Lichtenstein, Hui Sun, Brandon J. Bocklund, Zi-Kui Liu, Hojong Kim

Acta Materialia 223 117448 (2022) · Elsevier BV

DOI: 10.1016/j.actamat.2021.117448

Data: JSON record · id doi:10.1016/j.actamat.2021.117448 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 7 released values
• assessment behind a TDB file: BiNd-22Im.tdb (Bi–Nd)

Systems

Bi–Nd

Evidence in ORCHID

7 values read from this paper (1 accepted), from 0 tables and 5 text passages.

Phase-registry phases citing it: phase:bi-nd:a7-rhombohedral, phase:bi-nd:bcc-a2, phase:bi-nd:bi2nd, phase:bi-nd:bi3nd4-d73, phase:bi-nd:bi3nd5-d88, phase:bi-nd:bi7nd3, phase:bi-nd:bind-b1, phase:bi-nd:bind2, phase:bi-nd:dhcp-a3, phase:bi-nd:fcc-a1, phase:bi-nd:hcp-a3, phase:bi-nd:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 28 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (2)

• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Efficient thermodynamic modelling with uncertainty quantification of the Ag–Cu–Co system from its sub-binary systems (2023) [crossref_reference_list]

References (Crossref, publisher-deposited) (11)

• Comment on Nd-Sn (neodymium-tin) (1994) [crossref_reference_list]
• Rare-earth bismuthides (1975) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic assessments of the Bi–Nd and Bi–Tm systems (2010) [crossref_reference_list]
• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) [crossref_reference_list]
• The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design (2020) [crossref_reference_list]
• The Precision Determination of Lattice Constants by the Powder and Rotating Crystal Methods and Applications (1949) [crossref_reference_list]
• Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
• From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]

TDB files modelling its system (1)

• tdb:BiNd-22Im.tdb [sgte_tdb_header]

Reassesses (cites an earlier assessment of the same system) (1)

• Thermodynamic assessments of the Bi–Nd and Bi–Tm systems (2010) [citation+same-system]