Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-39707
- Created at: Sept. 4, 2022, 3:33 p.m.
- Last updated at: Sept. 4, 2022, 3:33 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 54
- Number of elements: 3
- Element list: ['Ba', 'Fe', 'S']
- Chemical System: Ba-Fe-S
- Density: 4.162013208059495
- Atomic Density: 0.038775351742311816
- Unit Cell Volume: 1392.6372701624002
- Molar Volume: 15.530847534333558
- Full Formula: Ba14 Fe12 S28
- Reduced Formula: Ba7(Fe3S7)2
- Formula Anonymous: A6B7C14
- Spacegroup Number: 15
- Spacegroup Symbol: C12/c1
- Crystal System: monoclinic
- Pointgroup: 2/m
