Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-70116
- 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: 56
- Number of elements: 3
- Element list: ['As', 'S', 'Tl']
- Chemical System: As-S-Tl
- Density: 6.396895304423673
- Atomic Density: 0.034383851375106037
- Unit Cell Volume: 1628.6715350492727
- Molar Volume: 17.51444506405713
- Full Formula: Tl24 As8 S24
- Reduced Formula: Tl3AsS3
- Formula Anonymous: AB3C3
- Spacegroup Number: 61
- Spacegroup Symbol: Pbca
- Crystal System: orthorhombic
- Pointgroup: mmm