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-1102232
- 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: 12
- Number of elements: 3
- Element list: ['H', 'C', 'N']
- Chemical System: C-H-N
- Density: 2.7482982839372436
- Atomic Density: 0.18372356227957995
- Unit Cell Volume: 65.3155199643859
- Molar Volume: 3.2778271253176836
- Full Formula: H4 C4 N4
- Reduced Formula: HCN
- Formula Anonymous: ABC
- Spacegroup Number: 198
- Spacegroup Symbol: P2_13
- Crystal System: cubic
- Pointgroup: 23