Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-50002
- Created at: Sept. 4, 2022, 2:38 p.m.
- Last updated at: Sept. 4, 2022, 2:38 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 22
- Number of elements: 3
- Element list: ['Ba', 'O', 'F']
- Chemical System: Ba-F-O
- Density: 4.987045822915457
- Atomic Density: 0.048632514623271034
- Unit Cell Volume: 452.37224869866856
- Molar Volume: 12.382951625368676
- Full Formula: Ba8 O2 F12
- Reduced Formula: Ba4OF6
- Formula Anonymous: AB4C6
- Spacegroup Number: 186
- Spacegroup Symbol: P6_3mc
- Crystal System: hexagonal
- Pointgroup: 6mm
