Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-6684
- Created at: Sept. 4, 2022, 3:15 p.m.
- Last updated at: Sept. 4, 2022, 3:15 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 16
- Number of elements: 3
- Element list: ['Ba', 'F', 'Zr']
- Chemical System: Ba-F-Zr
- Density: 4.929696854983573
- Atomic Density: 0.06933428008661602
- Unit Cell Volume: 230.76607963639285
- Molar Volume: 8.685661338773297
- Full Formula: Ba2 Zr2 F12
- Reduced Formula: BaZrF6
- Formula Anonymous: ABC6
- Spacegroup Number: 67
- Spacegroup Symbol: Cmme
- Crystal System: orthorhombic
- Pointgroup: mmm
