Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-68944
- 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: 4
- Number of elements: 3
- Element list: ['Ba', 'Nb', 'Br']
- Chemical System: Ba-Br-Nb
- Density: 5.111063566538509
- Atomic Density: 0.02751463188344894
- Unit Cell Volume: 145.3771948301495
- Molar Volume: 21.887048264027616
- Full Formula: Ba2 Nb1 Br1
- Reduced Formula: Ba2NbBr
- Formula Anonymous: ABC2
- Spacegroup Number: 225
- Spacegroup Symbol: Fm-3m
- Crystal System: cubic
- Pointgroup: m-3m
