Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-14896
- Created at: Sept. 4, 2022, 3:17 p.m.
- Last updated at: Sept. 4, 2022, 3:17 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 32
- Number of elements: 7
- Element list: ['Ba', 'C', 'Cl', 'H', 'N', 'O', 'S']
- Chemical System: Ba-C-Cl-H-N-O-S
- Density: 2.9512414406264904
- Atomic Density: 0.05712940229381696
- Unit Cell Volume: 560.131888575059
- Molar Volume: 10.541228366136377
- Full Formula: Ba4 H8 C4 S4 N4 Cl4 O4
- Reduced Formula: BaH2CSNClO
- Formula Anonymous: ABCDEFG2
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm
