Skip to content

Latest commit

 

History

History
13 lines (10 loc) · 775 Bytes

File metadata and controls

13 lines (10 loc) · 775 Bytes

Wide-Bandgap Defect Atlas — wbgdefects.github.io

Interactive atlas of intrinsic native point defects in 364 wide-bandgap semiconductors (80,810 defects, three-model MLFF formation energies + QE/VASP DFT, charged transition levels, and 3D relaxed/unrelaxed/bulk structures).

This repository is the built, GitHub Pages–served site (files at the root). The React/Vite source is in _source/; rebuild with cd _source && npm install && npm run build.

Data files under wbg/ (defects.jsongz, defect_conditions.jsongz, levels.jsongz, cifs/<mp_id>.jsongz) are generated from the master dataset by the pipeline in the WBG_Defect_Screening project (10_website/curate_web.py, mk_levels.py).