Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-687119
- 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: 5
- Element list: ['C', 'H', 'N', 'O', 'S']
- Chemical System: C-H-N-O-S
- Density: 1.8295685426840385
- Atomic Density: 0.12007928393048897
- Unit Cell Volume: 699.5378157703339
- Molar Volume: 5.015137135133212
- Full Formula: H38 C12 S4 N10 O20
- Reduced Formula: H19C6S2(NO2)5
- Formula Anonymous: A2B5C6D10E19
- Spacegroup Number: 2
- Spacegroup Symbol: P-1
- Crystal System: triclinic
- Pointgroup: -1
