Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-685440
- 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: 96
- Number of elements: 5
- Element list: ['C', 'H', 'N', 'O', 'P']
- Chemical System: C-H-N-O-P
- Density: 1.9466920273421124
- Atomic Density: 0.1266956405297248
- Unit Cell Volume: 757.7214148696529
- Molar Volume: 4.753234392928548
- Full Formula: P8 H48 C8 N8 O24
- Reduced Formula: PH6CNO3
- Formula Anonymous: ABCD3E6
- Spacegroup Number: 61
- Spacegroup Symbol: Pbca
- Crystal System: orthorhombic
- Pointgroup: mmm
