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-866812
- Created at: Sept. 4, 2022, 2:42 p.m.
- Last updated at: Nov. 28, 2021, 1:35 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 32
- Number of elements: 5
- Element list: ['U', 'Ta', 'S', 'Cl', 'O']
- Chemical System: Cl-O-S-Ta-U
- Density: 3.9445521137104644
- Atomic Density: 0.0372245280360356
- Unit Cell Volume: 859.6482397042633
- Molar Volume: 16.177883448704048
- Full Formula: U2 Ta4 S12 Cl12 O2
- Reduced Formula: UTa2S6Cl6O
- Formula Anonymous: ABC2D6E6
- Spacegroup Number: 2
- Spacegroup Symbol: P-1
- Crystal System: triclinic
- Pointgroup: -1
