Stability of U₅Si₄ phase in U-Si system: Crystal structure prediction and phonon properties using first-principles calculations

Chemistry

• First Principle 100%
• Crystal Structure 100%
• Phonon 100%
• stability 100%
• Structure Prediction 100%
• Density Functional Theory 66%
• Uranium 66%
• Enthalpy of Formation 66%
• Phase Composition 33%
• Space Group 33%
• Carbon Atom 33%
• Phase Equilibria 33%
• k·p perturbation theory 33%
• P6/Mmm 33%
• formation 33%
• Perturbation Theory 33%

Material Science

• Density 100%
• Crystal Structure 100%
• Structure Prediction 100%
• Uranium 50%
• Atomic Structure 25%
• Phase Composition 25%

Engineering

• Si System 100%
• Crystal Structure 100%
• Potential Application 50%
• Thermodynamic Stability 50%
• Phase Composition 50%
• Space Group 50%