Designing rules and probabilistic weighting for fast materials discovery in the Perovskite structure

Modelling and Simulation in Materials Science and Engineering

Volumn 22, Issue 5, 2014, Pages

  Castelli, I E ^a   Jacobsen, K W ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

bandgap; data mining; materials design; perovskites; stability

Indexed keywords

ATOMS; CHEMICAL COMPOUNDS; CHEMICAL ELEMENTS; CONVERGENCE OF NUMERICAL METHODS; DATA MINING; ELECTRONIC PROPERTIES; ENERGY GAP; PEROVSKITE;

CUBIC PEROVSKITE; ELECTRONIC STRUCTURE CALCULATIONS; ELECTRONIC STRUCTURE THEORY; LAYERED PEROVSKITE STRUCTURE; MATERIALS DESIGN; NUMBER OF ELECTRONS; PEROVSKITE STRUCTURES; STRUCTURAL INFORMATION;

STRUCTURAL DESIGN;

EID: 84903193421     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/22/5/055007     Document Type: Article

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