Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-688805
- 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: 88
- Number of elements: 5
- Element list: ['C', 'Cl', 'H', 'N', 'O']
- Chemical System: C-Cl-H-N-O
- Density: 1.5685509129341653
- Atomic Density: 0.11971099494927151
- Unit Cell Volume: 735.1037391117725
- Molar Volume: 5.030566125151604
- Full Formula: H48 C16 N4 Cl4 O16
- Reduced Formula: H12C4NClO4
- Formula Anonymous: ABC4D4E12
- Spacegroup Number: 18
- Spacegroup Symbol: P2_12_12
- Crystal System: orthorhombic
- Pointgroup: 222
