Analogical discovery of disordered perovskite oxides by crystal structure information hidden in unsupervised material fingerprints
Open Access
- 21 May 2021
- journal article
- research article
- Published by Springer Science and Business Media LLC in npj Computational Materials
- Vol. 7 (1), 1-12
- https://doi.org/10.1038/s41524-021-00536-2
Abstract
No abstract availableFunding Information
- The Institution of Engineering and Technology (IET) AF Harvey Research Prize
This publication has 61 references indexed in Scilit:
- Novel multiferroic La0.95Sb0.05FeO3 orthoferriteMaterials Chemistry and Physics, 2011
- VESTA: a three-dimensional visualization system for electronic and structural analysisJournal of Applied Crystallography, 2008
- Virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskitesPhysical Review B, 2000
- The crystal structure of the B-site ordered complex perovskite Sr(Yb0.5Nb0.5)O3Acta crystallographica Section B, Structural science, crystal engineering and materials, 1999
- Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis setPhysical Review B, 1996
- Projector augmented-wave methodPhysical Review B, 1994
- Special quasirandom structuresPhysical Review Letters, 1990
- Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenidesActa Crystallographica Section A, 1976
- On Information and SufficiencyThe Annals of Mathematical Statistics, 1951
- THE NATURE OF THE CHEMICAL BOND. APPLICATION OF RESULTS OBTAINED FROM THE QUANTUM MECHANICS AND FROM A THEORY OF PARAMAGNETIC SUSCEPTIBILITY TO THE STRUCTURE OF MOLECULESJournal of the American Chemical Society, 1931