Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-57132
- 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: 20
- Number of elements: 4
- Element list: ['Ba', 'Ti', 'O', 'F']
- Chemical System: Ba-F-O-Ti
- Density: 4.79493838199627
- Atomic Density: 0.06381238338773193
- Unit Cell Volume: 313.41879018179793
- Molar Volume: 9.437260356518465
- Full Formula: Ba4 Ti2 O2 F12
- Reduced Formula: Ba2TiOF6
- Formula Anonymous: ABC2D6
- Spacegroup Number: 9
- Spacegroup Symbol: C1c1
- Crystal System: monoclinic
- Pointgroup: m
