Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-117538
- 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: 6
- Number of elements: 3
- Element list: ['Ba', 'Br', 'F']
- Chemical System: Ba-Br-F
- Density: 5.147166269262007
- Atomic Density: 0.03936465069052643
- Unit Cell Volume: 152.42101466034273
- Molar Volume: 15.298346751110124
- Full Formula: Ba2 Br2 F2
- Reduced Formula: BaBrF
- Formula Anonymous: ABC
- Spacegroup Number: 129
- Spacegroup Symbol: P4/nmm1
- Crystal System: tetragonal
- Pointgroup: 4/mmm
