Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-685245
- 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: 92
- Number of elements: 5
- Element list: ['C', 'Cl', 'H', 'N', 'O']
- Chemical System: C-Cl-H-N-O
- Density: 2.2432291101910984
- Atomic Density: 0.11136979972547958
- Unit Cell Volume: 826.076730197728
- Molar Volume: 5.407337334577457
- Full Formula: H32 C4 N8 Cl8 O40
- Reduced Formula: H8CN2(ClO5)2
- Formula Anonymous: AB2C2D8E10
- Spacegroup Number: 60
- Spacegroup Symbol: Pbcn
- Crystal System: orthorhombic
- Pointgroup: mmm
