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-560730
- 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: 92
- Number of elements: 5
- Element list: ['H', 'C', 'N', 'Cl', 'O']
- Chemical System: C-Cl-H-N-O
- Density: 1.847375582846208
- Atomic Density: 0.09171682363813312
- Unit Cell Volume: 1003.0875072929275
- Molar Volume: 6.566015395125583
- Full Formula: H32 C4 N8 Cl8 O40
- Reduced Formula: H8CN2(ClO5)2
- Formula Anonymous: AB2C2D8E10
- Spacegroup Number: 60
- Spacegroup Symbol: Pbcn
- Crystal System: orthorhombic
- Pointgroup: mmm
