Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-11322
- Created at: Sept. 4, 2022, 2:37 p.m.
- Last updated at: Sept. 4, 2022, 2:37 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 12
- Number of elements: 3
- Element list: ['Ca', 'Ti', 'F']
- Chemical System: Ca-F-Ti
- Density: 3.6308985082805885
- Atomic Density: 0.08002671806075967
- Unit Cell Volume: 149.94992036146093
- Molar Volume: 7.525162728062566
- Full Formula: Ca2 Ti2 F8
- Reduced Formula: CaTiF4
- Formula Anonymous: ABC4
- Spacegroup Number: 123
- Spacegroup Symbol: P4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
