Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-45285
- 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', 'B', 'O']
- Chemical System: B-Ba-O-Ti
- Density: 4.89055402364483
- Atomic Density: 0.07657755397565717
- Unit Cell Volume: 261.1731370573379
- Molar Volume: 7.864106970450306
- Full Formula: Ba3 Ti3 B2 O12
- Reduced Formula: Ba3Ti3(BO6)2
- Formula Anonymous: A2B3C3D12
- Spacegroup Number: 189
- Spacegroup Symbol: P-62m
- Crystal System: hexagonal
- Pointgroup: -62m