Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-14527
- Created at: Sept. 4, 2022, 3:17 p.m.
- Last updated at: Sept. 4, 2022, 3:17 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 28
- Number of elements: 7
- Element list: ['Al', 'Ca', 'Cl', 'F', 'H', 'O', 'S']
- Chemical System: Al-Ca-Cl-F-H-O-S
- Density: 2.502942943628222
- Atomic Density: 0.0948900813018305
- Unit Cell Volume: 295.0782591379217
- Molar Volume: 6.346438613372574
- Full Formula: Ca2 Al1 H8 S2 Cl1 O12 F2
- Reduced Formula: Ca2AlH8S2Cl(O6F)2
- Formula Anonymous: ABC2D2E2F8G12
- Spacegroup Number: 87
- Spacegroup Symbol: I4/m
- Crystal System: tetragonal
- Pointgroup: 4/m
