Keyphrases
Highly Stable
100%
Density Functional Theory
100%
Stable Structure
100%
Material Space
66%
Low Energy
33%
Halides
33%
Computational Efficiency
33%
Solid State
33%
First-principles
33%
Lattice Parameter
33%
Atomic Position
33%
Supercells
33%
Order of Accuracy
33%
Ionic Radius
33%
Material Structure
33%
Cs +
33%
Halogens
33%
Pb2+
33%
High-throughput Calculations
33%
Stable Phase
33%
Sn2+
33%
Pseudopotential
33%
Experimental Reports
33%
Engineering
Material Space
100%
Good Agreement
50%
Computational Efficiency
50%
Initial Guess
50%
Experimental Report
50%
Ionic Radius
50%
Stable Phase
50%
Demonstrates
50%
Illustrates
50%
Supercell
50%
Lattice Parameter
50%
Random Sample
50%
Chemistry
Density Functional Theory
100%
Structure
100%
First Principle
33%
Lattice Parameter
33%
Atomic Coordinate
33%
K+
33%
Halide
33%
Pseudopotential
33%
Material Science
Density
100%
Lattice Constant
50%
Halide
50%
Novel Material
50%