Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-69315
- 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', 'Cu', 'Cl']
- Chemical System: Ba-Cl-Cu
- Density: 4.160120902634212
- Atomic Density: 0.036872361239005516
- Unit Cell Volume: 108.48233922617872
- Molar Volume: 16.33239791985294
- Full Formula: Ba1 Cu1 Cl2
- Reduced Formula: BaCuCl2
- Formula Anonymous: ABC2
- Spacegroup Number: 99
- Spacegroup Symbol: P4mm
- Crystal System: tetragonal
- Pointgroup: 4mm
