Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-38943
- 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: 88
- Number of elements: 4
- Element list: ['C', 'Cl', 'H', 'N']
- Chemical System: C-Cl-H-N
- Density: 1.5880163353542034
- Atomic Density: 0.11011645688985698
- Unit Cell Volume: 799.1539365275912
- Molar Volume: 5.468883516678704
- Full Formula: H48 C8 N24 Cl8
- Reduced Formula: H6CN3Cl
- Formula Anonymous: ABC3D6
- Spacegroup Number: 61
- Spacegroup Symbol: Pbca
- Crystal System: orthorhombic
- Pointgroup: mmm
