Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-95551
- Created at: Sept. 4, 2022, 2:35 p.m.
- Last updated at: Sept. 4, 2022, 2:35 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 32
- Number of elements: 4
- Element list: ['Ca', 'C', 'O', 'F']
- Chemical System: C-Ca-F-O
- Density: 3.12840307960347
- Atomic Density: 0.08459588353336596
- Unit Cell Volume: 378.2689968286541
- Molar Volume: 7.1187160751442145
- Full Formula: Ca8 C4 O12 F8
- Reduced Formula: Ca2CO3F2
- Formula Anonymous: AB2C2D3
- Spacegroup Number: 60
- Spacegroup Symbol: Pbcn
- Crystal System: orthorhombic
- Pointgroup: mmm
