Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-1554642
- Created at: Sept. 4, 2022, 3:57 p.m.
- Last updated at: Sept. 4, 2022, 3:57 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 6
- Number of elements: 3
- Element list: ['Ba', 'Ca', 'F']
- Chemical System: Ba-Ca-F
- Density: 4.558204385267168
- Atomic Density: 0.06499676093826118
- Unit Cell Volume: 92.31229238791227
- Molar Volume: 9.265293643971402
- Full Formula: Ba1 Ca1 F4
- Reduced Formula: BaCaF4
- Formula Anonymous: ABC4
- Spacegroup Number: 123
- Spacegroup Symbol: P4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
