Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-53662
- Created at: Sept. 4, 2022, 2:35 p.m.
- Last updated at: Sept. 4, 2022, 2:35 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 7
- Number of elements: 3
- Element list: ['Ba', 'Fe', 'S']
- Chemical System: Ba-Fe-S
- Density: 3.930407540763122
- Atomic Density: 0.043916345878424703
- Unit Cell Volume: 159.39395366313872
- Molar Volume: 13.712754646461985
- Full Formula: Ba1 Fe2 S4
- Reduced Formula: Ba(FeS2)2
- Formula Anonymous: AB2C4
- Spacegroup Number: 97
- Spacegroup Symbol: I422
- Crystal System: tetragonal
- Pointgroup: 422
