Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-95566
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 28
- Number of elements: 7
- Element list: ['Ca', 'Al', 'H', 'S', 'Cl', 'O', 'F']
- Chemical System: Al-Ca-Cl-F-H-O-S
- Density: 2.368612032895936
- Atomic Density: 0.0897974078658719
- Unit Cell Volume: 311.813009589574
- Molar Volume: 6.706363694813016
- 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
