Table mix-ins: ['Structure', 'Thermodynamics']
Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']
Base Information:
- Database Entry ID: mp-1198154
- Created at: Sept. 4, 2022, 2:41 p.m.
- Last updated at: Nov. 28, 2021, 1:35 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 296
- Number of elements: 6
- Element list: ['B', 'H', 'C', 'S', 'N', 'Cl']
- Chemical System: B-C-Cl-H-N-S
- Density: 1.1771145844680744
- Atomic Density: 0.08780946878048247
- Unit Cell Volume: 3370.9348673999984
- Molar Volume: 6.858190629822542
- Full Formula: B88 H144 C32 S16 N8 Cl8
- Reduced Formula: B11H18C4S2NCl
- Formula Anonymous: ABC2D4E11F18
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m