Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-74901
- Created at: Sept. 4, 2022, 3:52 p.m.
- Last updated at: Sept. 4, 2022, 3:52 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 72
- Number of elements: 5
- Element list: ['Cl', 'N', 'O', 'P', 'S']
- Chemical System: Cl-N-O-P-S
- Density: 2.189753819225986
- Atomic Density: 0.04731117758708877
- Unit Cell Volume: 1521.8391017104764
- Molar Volume: 12.728790673017286
- Full Formula: P8 S8 N8 Cl32 O16
- Reduced Formula: PSN(Cl2O)2
- Formula Anonymous: ABCD2E4
- Spacegroup Number: 61
- Spacegroup Symbol: Pbca
- Crystal System: orthorhombic
- Pointgroup: mmm
