Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-1350811
- Created at: Sept. 4, 2022, 3:46 p.m.
- Last updated at: Sept. 4, 2022, 3:46 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 80
- Number of elements: 4
- Element list: ['As', 'Cu', 'F', 'Na']
- Chemical System: As-Cu-F-Na
- Density: 4.319800582639464
- Atomic Density: 0.08162274204500815
- Unit Cell Volume: 980.1189961969993
- Molar Volume: 7.378018195810293
- Full Formula: Na12 Cu12 As8 F48
- Reduced Formula: Na3Cu3As2F12
- Formula Anonymous: A2B3C3D12
- Spacegroup Number: 230
- Spacegroup Symbol: Ia-3d
- Crystal System: cubic
- Pointgroup: m-3m
