Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-85270
- Created at: Sept. 4, 2022, 2:37 p.m.
- Last updated at: Sept. 4, 2022, 2:37 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 12
- Number of elements: 2
- Element list: ['Ca', 'Cl']
- Chemical System: Ca-Cl
- Density: 2.2361151885549555
- Atomic Density: 0.036400383187771695
- Unit Cell Volume: 329.6668592222751
- Molar Volume: 16.544168584530375
- Full Formula: Ca4 Cl8
- Reduced Formula: CaCl2
- Formula Anonymous: AB2
- Spacegroup Number: 60
- Spacegroup Symbol: Pbcn
- Crystal System: orthorhombic
- Pointgroup: mmm