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-706606
- Created at: Sept. 4, 2022, 2:43 p.m.
- Last updated at: Nov. 28, 2021, 1:36 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 40
- Number of elements: 5
- Element list: ['B', 'H', 'C', 'S', 'N']
- Chemical System: B-C-H-N-S
- Density: 1.2587927153141747
- Atomic Density: 0.08620245806681696
- Unit Cell Volume: 464.023890931223
- Molar Volume: 6.986042967976781
- Full Formula: B4 H20 C4 S4 N8
- Reduced Formula: BH5CSN2
- Formula Anonymous: ABCD2E5
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm