Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-26526
- 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: 9
- Number of elements: 5
- Element list: ['Ba', 'Fe', 'S', 'O', 'F']
- Chemical System: Ba-F-Fe-O-S
- Density: 5.148794833318944
- Atomic Density: 0.05531761868819541
- Unit Cell Volume: 162.69680823987764
- Molar Volume: 10.886478671369678
- Full Formula: Ba2 Fe2 S2 O1 F2
- Reduced Formula: Ba2Fe2S2OF2
- Formula Anonymous: AB2C2D2E2
- Spacegroup Number: 139
- Spacegroup Symbol: I4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
