Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-687115
- 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: 1.8562809566750667
- Atomic Density: 0.09917909146018451
- Unit Cell Volume: 846.9527071007889
- Molar Volume: 6.071986213361908
- Full Formula: H36 C12 S8 N8 Cl4 O16
- Reduced Formula: H9C3S2N2ClO4
- Formula Anonymous: AB2C2D3E4F9
- Spacegroup Number: 2
- Spacegroup Symbol: P-1
- Crystal System: triclinic
- Pointgroup: -1
