Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-112885
- Created at: Sept. 4, 2022, 2:38 p.m.
- Last updated at: Sept. 4, 2022, 2:38 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 20
- Number of elements: 3
- Element list: ['Cu', 'P', 'S']
- Chemical System: Cu-P-S
- Density: 3.0541015556712305
- Atomic Density: 0.04821920777675062
- Unit Cell Volume: 414.77247184561173
- Molar Volume: 12.489091044137053
- Full Formula: Cu4 P4 S12
- Reduced Formula: CuPS3
- Formula Anonymous: ABC3
- Spacegroup Number: 136
- Spacegroup Symbol: P4_2/mnm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
