Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-7760
- 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: 5
- Number of elements: 3
- Element list: ['Ba', 'Ti', 'O']
- Chemical System: Ba-O-Ti
- Density: 5.847658642141382
- Atomic Density: 0.07550729285022305
- Unit Cell Volume: 66.21876922429261
- Molar Volume: 7.975574984452923
- Full Formula: Ba1 Ti1 O3
- Reduced Formula: BaTiO3
- Formula Anonymous: ABC3
- Spacegroup Number: 99
- Spacegroup Symbol: P4mm
- Crystal System: tetragonal
- Pointgroup: 4mm
