Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-118342
- 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: 4
- Number of elements: 3
- Element list: ['Ti', 'O', 'F']
- Chemical System: F-O-Ti
- Density: 2.8984683471972907
- Atomic Density: 0.07062206062976173
- Unit Cell Volume: 56.639525444749054
- Molar Volume: 8.52727987019701
- Full Formula: Ti1 O2 F1
- Reduced Formula: TiO2F
- Formula Anonymous: ABC2
- Spacegroup Number: 123
- Spacegroup Symbol: P4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
