Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-88080
- Created at: Sept. 4, 2022, 2:35 p.m.
- Last updated at: Sept. 4, 2022, 2:35 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 22
- Number of elements: 3
- Element list: ['Ba', 'Br', 'O']
- Chemical System: Ba-Br-O
- Density: 4.675725201869476
- Atomic Density: 0.02964748916660778
- Unit Cell Volume: 742.0527207672881
- Molar Volume: 20.312481526370835
- Full Formula: Ba8 Br12 O2
- Reduced Formula: Ba4Br6O
- Formula Anonymous: AB4C6
- Spacegroup Number: 186
- Spacegroup Symbol: P6_3mc
- Crystal System: hexagonal
- Pointgroup: 6mm
