Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-3395
- Created at: Sept. 4, 2022, 2:48 p.m.
- Last updated at: Sept. 4, 2022, 2:48 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 12
- Number of elements: 3
- Element list: ['Ba', 'Fe', 'S']
- Chemical System: Ba-Fe-S
- Density: 4.79588300345052
- Atomic Density: 0.050197819065243544
- Unit Cell Volume: 239.05421039115777
- Molar Volume: 11.996817535385057
- Full Formula: Ba2 Fe4 S6
- Reduced Formula: BaFe2S3
- Formula Anonymous: AB2C3
- Spacegroup Number: 63
- Spacegroup Symbol: Cmcm
- Crystal System: orthorhombic
- Pointgroup: mmm
