Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-51075
- 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: 14
- Number of elements: 4
- Element list: ['Ca', 'Fe', 'Cl', 'O']
- Chemical System: Ca-Cl-Fe-O
- Density: 3.6567978770209977
- Atomic Density: 0.07024411734186263
- Unit Cell Volume: 199.3049458058543
- Molar Volume: 8.573160270050186
- Full Formula: Ca4 Fe2 Cl2 O6
- Reduced Formula: Ca2FeClO3
- Formula Anonymous: ABC2D3
- Spacegroup Number: 129
- Spacegroup Symbol: P4/nmm1
- Crystal System: tetragonal
- Pointgroup: 4/mmm
