Predicting the crystal structure of N ₅AsF ₆ high energy density material using ab initio evolutionary algorithms

Keyphrases

• High Energy Density Materials 100%
• 6-high 100%
• Evolutionary Algorithms 100%
• Marginal Stability 66%
• Polymeric Nitrogen 66%
• Crystal Structure Prediction 33%
• Explosives 33%
• Stoichiometry 33%
• Phonon Modes 33%
• Prediction Approach 33%
• Partial Hardening 33%
• Evolutionary Prediction 33%

Material Science

• Crystal Structure 100%
• Energy Density 100%

Chemistry

• Crystal Structure 100%
• Cation 33%
• Phonon 33%
• Reaction Stoichiometry 33%