Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-90501
- 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: 9
- Number of elements: 3
- Element list: ['Ba', 'Ni', 'F']
- Chemical System: Ba-F-Ni
- Density: 5.44894899431399
- Atomic Density: 0.06601924272143744
- Unit Cell Volume: 136.32389026294547
- Molar Volume: 9.121796179047234
- Full Formula: Ba2 Ni1 F6
- Reduced Formula: Ba2NiF6
- Formula Anonymous: AB2C6
- Spacegroup Number: 139
- Spacegroup Symbol: I4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm