Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-683352
- Created at: Sept. 4, 2022, 3:52 p.m.
- Last updated at: Sept. 4, 2022, 3:52 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 96
- Number of elements: 4
- Element list: ['C', 'H', 'N', 'O']
- Chemical System: C-H-N-O
- Density: 1.960926475782776
- Atomic Density: 0.12477775721405736
- Unit Cell Volume: 769.3678917093464
- Molar Volume: 4.826293479268876
- Full Formula: H36 C8 N28 O24
- Reduced Formula: H9C2N7O6
- Formula Anonymous: A2B6C7D9
- Spacegroup Number: 29
- Spacegroup Symbol: Pca2_1
- Crystal System: orthorhombic
- Pointgroup: mm2
