Summary
Formation energies of split-vacancy defects from regular vacancy defects.
Based on doi.org/10.1088/2515-7655/ade916
Interactive features
View relaxed defect structures, with DFT and/or model.
Category
No response
Data availability
Either bulk crystals, or a new category: (bulk?) defects
Computational cost
~10,000 short relaxations, so could be quite long.
Additional context
No response
Summary
Formation energies of split-vacancy defects from regular vacancy defects.
Based on doi.org/10.1088/2515-7655/ade916
Interactive features
View relaxed defect structures, with DFT and/or model.
Category
No response
Data availability
Either bulk crystals, or a new category: (bulk?) defects
Computational cost
~10,000 short relaxations, so could be quite long.
Additional context
No response