Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-117559
- 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: 4
- Number of elements: 3
- Element list: ['Ba', 'Se', 'Cl']
- Chemical System: Ba-Cl-Se
- Density: 3.9663165858755853
- Atomic Density: 0.03326782586918176
- Unit Cell Volume: 120.23629123613607
- Molar Volume: 18.101996757109145
- Full Formula: Ba1 Se1 Cl2
- Reduced Formula: BaSeCl2
- Formula Anonymous: ABC2
- Spacegroup Number: 99
- Spacegroup Symbol: P4mm
- Crystal System: tetragonal
- Pointgroup: 4mm
