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Crystal chemistry and Calphad modeling of the σ phase
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Ga2Nb20Os8 has an obvious analogue in the ICSD, Ge3.9Nb20.4Rh5.9, which is one of the well-known Frank-Kasper sigma (σ) phases.
“This enabled us to find an obvious analogue of Ga2Nb20Os8 in the ICSD by searching for structures in space group P42/mnm with lattice parameters close to a = 9.9 Å and c = 5.1 Å, pointing us to Ge3.9Nb20.4Rh5.9, which is one of the well-known Frank–Kasper sigma (σ) phases.20,21”
From Artificial Intelligence Driving Materials Discovery? Perspective on the Article: Scaling Deep Learning for Materials Discovery (2024) · cites this paper as [21]
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- Wilson, 1963, Ordering of atoms in the sigma phase FeMo, Acta Crystallogr, 16, 230, 10.1107/S0365110X63000566 · DOI
- Decker, 1954, Evidence for order in the Mn–Mo sigma phase, J Met, 200, 1406
- De Freitas, 1982, The ordering of the sigma phase V62Co38, Port Phys, 13, 113
Cited by
Sorted by citations
Cheetham, A. K., & Seshadri, R. (2024) · Chemistry of Materials · doi:10.1021/acs.chemmater.4c00643 · Cited by 191
Metadata
- Authors
- Joubert, J.-M.
- Affiliations
- Centre National de la Recherche Scientifique (FR)
- Corresponding author
- Joubert, J.-M.
- ORCID
- Joubert, J.-M.
- Venue
- Progress in Materials Science
- Publisher
- Elsevier BV
- Published
- 2008-03
- Volume
- 53
- Issue
- 3
- Pages
- 528-583
- ISSN
- 0079-6425 (ISSN-L)
- OpenAlex
- W2032297185
- Cited by
- 278
- References
- 0
- Citations by year
- 2026: 11 · 2025: 21 · 2024: 22 · 2023: 18 · 2022: 19 · 2021: 14 · 2020: 14 · 2019: 21 · 2018: 14 · 2017: 19 · 2016: 11 · 2015: 20 · 2014: 11 · 2013: 16 · 2012: 18
- FWCI
- 18.59
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Progress in Materials Science (publishedVersion)
- Topics
- Physical Sciences › Engineering › Mechanical Engineering › Intermetallics and Advanced Alloy Properties
- Physical Sciences › Materials Science › General Materials Science › Metallurgical and Alloy Processes
- Physical Sciences › Engineering › Mechanical Engineering › High Temperature Alloys and Creep
- Keywords
- sigma phase, crystal chemistry, atomic ordering, order-disorder transition, CALPHAD modeling, crystal structure, intermetallic compounds, transition metal alloys, first-principles calculations, thermodynamic analysis, Ni-V alloys
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