Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-58153
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 14
- Number of elements: 4
- Element list: ['Ba', 'Ca', 'Ti', 'O']
- Chemical System: Ba-Ca-O-Ti
- Density: 3.9934748414965915
- Atomic Density: 0.06776238583079155
- Unit Cell Volume: 206.60429570704892
- Molar Volume: 8.88714393120366
- Full Formula: Ba1 Ca1 Ti4 O8
- Reduced Formula: BaCaTi4O8
- Formula Anonymous: ABC4D8
- Spacegroup Number: 162
- Spacegroup Symbol: P-31m
- Crystal System: trigonal
- Pointgroup: -31m