Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-23033
- 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: 40
- Number of elements: 4
- Element list: ['Ba', 'Ca', 'Al', 'F']
- Chemical System: Al-Ba-Ca-F
- Density: 4.071939343563541
- Atomic Density: 0.07268400344622632
- Unit Cell Volume: 550.3274187365467
- Molar Volume: 8.285372949297365
- Full Formula: Ba4 Ca4 Al4 F28
- Reduced Formula: BaCaAlF7
- Formula Anonymous: ABCD7
- Spacegroup Number: 13
- Spacegroup Symbol: P12/c1
- Crystal System: monoclinic
- Pointgroup: 2/m
