Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-87038
- 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: 16
- Number of elements: 3
- Element list: ['Ba', 'Zr', 'F']
- Chemical System: Ba-F-Zr
- Density: 4.673322788130192
- Atomic Density: 0.06572847796915168
- Unit Cell Volume: 243.4256884437408
- Molar Volume: 9.162148502550703
- Full Formula: Ba2 Zr2 F12
- Reduced Formula: BaZrF6
- Formula Anonymous: ABC6
- Spacegroup Number: 67
- Spacegroup Symbol: Cmme
- Crystal System: orthorhombic
- Pointgroup: mmm
