Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-34780
- 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: 21
- Number of elements: 3
- Element list: ['Ba', 'Cl', 'F']
- Chemical System: Ba-Cl-F
- Density: 5.029158957726199
- Atomic Density: 0.05047012860776617
- Unit Cell Volume: 416.08770532771325
- Molar Volume: 11.93208919042329
- Full Formula: Ba7 Cl2 F12
- Reduced Formula: Ba7(ClF6)2
- Formula Anonymous: A2B7C12
- Spacegroup Number: 174
- Spacegroup Symbol: P-6
- Crystal System: hexagonal
- Pointgroup: -6
