pymatgen

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

materials-sciencecrystal-structuresphase-diagramsband-structure

ovachiever

81

pymatgen

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

pythonmaterials-sciencecrystal-structuresphase-diagrams

K-Dense-AI

3,233360