Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-689107
- 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: 84
- Number of elements: 6
- Element list: ['C', 'Cl', 'H', 'N', 'O', 'S']
- Chemical System: C-Cl-H-N-O-S
- Density: 2.0850129914988136
- Atomic Density: 0.07786530521759433
- Unit Cell Volume: 1078.7859851735286
- Molar Volume: 7.734048872178884
- Full Formula: H24 C12 S12 N4 Cl12 O20
- Reduced Formula: H6C3S3NCl3O5
- Formula Anonymous: AB3C3D3E5F6
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m
