Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-95510
- 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: 72
- Number of elements: 6
- Element list: ['C', 'F', 'H', 'N', 'O', 'S']
- Chemical System: C-F-H-N-O-S
- Density: 1.942406757300475
- Atomic Density: 0.10262976458718559
- Unit Cell Volume: 701.5508638221115
- Molar Volume: 5.867830628106038
- Full Formula: H24 C12 S4 N12 O8 F12
- Reduced Formula: H6C3SN3O2F3
- Formula Anonymous: AB2C3D3E3F6
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm
