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-558736
- Created at: Sept. 4, 2022, 2:40 p.m.
- Last updated at: Nov. 28, 2021, 1:34 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 40
- Number of elements: 6
- Element list: ['H', 'C', 'S', 'N', 'Cl', 'O']
- Chemical System: C-Cl-H-N-O-S
- Density: 1.7495498153626776
- Atomic Density: 0.06423980082793877
- Unit Cell Volume: 622.6669367661465
- Molar Volume: 9.374469849509383
- Full Formula: H12 C4 S4 N4 Cl8 O8
- Reduced Formula: H3CSN(ClO)2
- Formula Anonymous: ABCD2E2F3
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm
