Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-36824
- 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: 8
- Number of elements: 3
- Element list: ['Cu', 'O', 'F']
- Chemical System: Cu-F-O
- Density: 4.499379851480733
- Atomic Density: 0.09462245877785487
- Unit Cell Volume: 84.54652419021998
- Molar Volume: 6.364388368028123
- Full Formula: Cu2 O4 F2
- Reduced Formula: CuO2F
- Formula Anonymous: ABC2
- Spacegroup Number: 31
- Spacegroup Symbol: Pmn2_1
- Crystal System: orthorhombic
- Pointgroup: mm2