Table mix-ins: ['Structure', 'Thermodynamics']
Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']
Base Information:
- Database Entry ID: mp-1102153
- Created at: Sept. 4, 2022, 2:41 p.m.
- Last updated at: Nov. 28, 2021, 1:35 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 12
- Number of elements: 3
- Element list: ['Ba', 'Fe', 'Se']
- Chemical System: Ba-Fe-Se
- Density: 5.358270392429783
- Atomic Density: 0.03984580091398442
- Unit Cell Volume: 301.1609686527455
- Molar Volume: 15.113614538706509
- Full Formula: Ba2 Fe4 Se6
- Reduced Formula: BaFe2Se3
- Formula Anonymous: AB2C3
- Spacegroup Number: 63
- Spacegroup Symbol: Cmcm
- Crystal System: orthorhombic
- Pointgroup: mmm