Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-97912
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 32
- Number of elements: 7
- Element list: ['Ba', 'H', 'C', 'S', 'N', 'Cl', 'O']
- Chemical System: Ba-C-Cl-H-N-O-S
- Density: 2.9523034161281037
- Atomic Density: 0.05714995975306873
- Unit Cell Volume: 559.930403070524
- Molar Volume: 10.537436572169474
- 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
