Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-689055
- 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: ['Br', 'C', 'H', 'N', 'O', 'S']
- Chemical System: Br-C-H-N-O-S
- Density: 1.8012843125955347
- Atomic Density: 0.0972760747147987
- Unit Cell Volume: 863.5216855354979
- Molar Volume: 6.190772785246696
- Full Formula: H48 C16 S8 Br4 N4 O4
- Reduced Formula: H12C4S2BrNO
- Formula Anonymous: ABCD2E4F12
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm
