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-1198045
- Created at: Sept. 4, 2022, 2:48 p.m.
- Last updated at: Nov. 28, 2021, 1:39 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 92
- Number of elements: 5
- Element list: ['Ni', 'H', 'C', 'N', 'O']
- Chemical System: C-H-N-Ni-O
- Density: 1.87737355058344
- Atomic Density: 0.1024463467332245
- Unit Cell Volume: 898.0310468227108
- Molar Volume: 5.878336272626647
- Full Formula: Ni4 H36 C16 N12 O24
- Reduced Formula: NiH9C4(NO2)3
- Formula Anonymous: AB3C4D6E9
- Spacegroup Number: 52
- Spacegroup Symbol: Pnna
- Crystal System: orthorhombic
- Pointgroup: mmm
