Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-117529
- 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: 3
- Number of elements: 3
- Element list: ['Ba', 'Br', 'Cl']
- Chemical System: Ba-Br-Cl
- Density: 0.6700783944354535
- Atomic Density: 0.0047909322469008135
- Unit Cell Volume: 626.182931712436
- Molar Volume: 125.69872520939194
- Full Formula: Ba1 Br1 Cl1
- Reduced Formula: BaBrCl
- Formula Anonymous: ABC
- Spacegroup Number: 99
- Spacegroup Symbol: P4mm
- Crystal System: tetragonal
- Pointgroup: 4mm
