Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-56626
- 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: 12
- Number of elements: 4
- Element list: ['Ca', 'Fe', 'Cl', 'O']
- Chemical System: Ca-Cl-Fe-O
- Density: 3.7849138732961087
- Atomic Density: 0.07144726192460671
- Unit Cell Volume: 167.95605145320698
- Molar Volume: 8.428791527875125
- Full Formula: Ca3 Fe2 Cl2 O5
- Reduced Formula: Ca3Fe2Cl2O5
- Formula Anonymous: A2B2C3D5
- Spacegroup Number: 139
- Spacegroup Symbol: I4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
