Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-1287028
- Created at: Sept. 4, 2022, 3:42 p.m.
- Last updated at: Sept. 4, 2022, 3:42 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 34
- Number of elements: 3
- Element list: ['Ba', 'F', 'Sc']
- Chemical System: Ba-F-Sc
- Density: 4.825565469379424
- Atomic Density: 0.06768623286126352
- Unit Cell Volume: 502.31780618799996
- Molar Volume: 8.897142750348632
- Full Formula: Ba6 Sc4 F24
- Reduced Formula: Ba3Sc2F12
- Formula Anonymous: A2B3C12
- Spacegroup Number: 127
- Spacegroup Symbol: P4/mbm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
