Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-104106
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 24
- Number of elements: 4
- Element list: ['H', 'C', 'N', 'O']
- Chemical System: C-H-N-O
- Density: 1.6973128211472799
- Atomic Density: 0.10474161585732109
- Unit Cell Volume: 229.13528499209687
- Molar Volume: 5.749520580438011
- Full Formula: H6 C14 N2 O2
- Reduced Formula: H3C7NO
- Formula Anonymous: ABC3D7
- Spacegroup Number: 4
- Spacegroup Symbol: P12_11
- Crystal System: monoclinic
- Pointgroup: 2
