Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-652997
- Created at: Sept. 4, 2022, 3:51 p.m.
- Last updated at: Sept. 4, 2022, 3:51 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 52
- Number of elements: 4
- Element list: ['Cu', 'I', 'P', 'S']
- Chemical System: Cu-I-P-S
- Density: 3.7726366047083415
- Atomic Density: 0.03731817809454892
- Unit Cell Volume: 1393.4227943350659
- Molar Volume: 16.1372850109198
- Full Formula: Cu12 P16 S12 I12
- Reduced Formula: Cu3P4(SI)3
- Formula Anonymous: A3B3C3D4
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm
