Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-106844
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 5
- Number of elements: 4
- Element list: ['Ba', 'Sc', 'O', 'F']
- Chemical System: Ba-F-O-Sc
- Density: 5.284251581522273
- Atomic Density: 0.06820664251407425
- Unit Cell Volume: 73.306643102514
- Molar Volume: 8.82925846812845
- Full Formula: Ba1 Sc1 O2 F1
- Reduced Formula: BaScO2F
- Formula Anonymous: ABCD2
- Spacegroup Number: 123
- Spacegroup Symbol: P4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
