Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-1282941
- Created at: Sept. 4, 2022, 3:42 p.m.
- Last updated at: Sept. 4, 2022, 3:42 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 22
- Number of elements: 3
- Element list: ['I', 'S', 'Zr']
- Chemical System: I-S-Zr
- Density: 5.16649114221682
- Atomic Density: 0.02954508844449217
- Unit Cell Volume: 744.624611340477
- Molar Volume: 20.382882831148386
- Full Formula: Zr8 S2 I12
- Reduced Formula: Zr4SI6
- Formula Anonymous: AB4C6
- Spacegroup Number: 12
- Spacegroup Symbol: C12/m1
- Crystal System: monoclinic
- Pointgroup: 2/m
