Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-94825
- 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: 64
- Number of elements: 6
- Element list: ['C', 'F', 'H', 'N', 'O', 'P']
- Chemical System: C-F-H-N-O-P
- Density: 1.951654435353689
- Atomic Density: 0.11822837404460979
- Unit Cell Volume: 541.3252150101599
- Molar Volume: 5.0936510027007
- Full Formula: P4 H28 C4 N12 O12 F4
- Reduced Formula: PH7CN3O3F
- Formula Anonymous: ABCD3E3F7
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m
