Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-98154
- 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: 72
- Number of elements: 4
- Element list: ['B', 'H', 'N', 'Cl']
- Chemical System: B-Cl-H-N
- Density: 1.9631931368587001
- Atomic Density: 0.07257628125667011
- Unit Cell Volume: 992.059647495136
- Molar Volume: 8.297670610460681
- Full Formula: B12 H24 N12 Cl24
- Reduced Formula: BH2NCl2
- Formula Anonymous: ABC2D2
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm
