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-1238590
- Created at: Sept. 4, 2022, 2:39 p.m.
- Last updated at: Nov. 28, 2021, 1:34 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 104
- Number of elements: 5
- Element list: ['As', 'H', 'C', 'O', 'F']
- Chemical System: As-C-F-H-O
- Density: 2.3958732564145477
- Atomic Density: 0.07949625901194454
- Unit Cell Volume: 1308.2376616536596
- Molar Volume: 7.575376294241916
- Full Formula: As8 H24 C8 O16 F48
- Reduced Formula: AsH3C(OF3)2
- Formula Anonymous: ABC2D3E6
- Spacegroup Number: 61
- Spacegroup Symbol: Pbca
- Crystal System: orthorhombic
- Pointgroup: mmm
