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-1180373
- 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: 96
- Number of elements: 6
- Element list: ['Ni', 'H', 'C', 'N', 'Cl', 'O']
- Chemical System: C-Cl-H-N-Ni-O
- Density: 1.6225862100284532
- Atomic Density: 0.08978314695450575
- Unit Cell Volume: 1069.2429844171581
- Molar Volume: 6.7074289154193885
- Full Formula: Ni4 H56 C12 N4 Cl12 O8
- Reduced Formula: NiH14C3NCl3O2
- Formula Anonymous: ABC2D3E3F14
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm
