Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-684616
- Created at: Sept. 4, 2022, 3:52 p.m.
- Last updated at: Sept. 4, 2022, 3:52 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 84
- Number of elements: 3
- Element list: ['B', 'Ca', 'S']
- Chemical System: B-Ca-S
- Density: 2.6744107640482406
- Atomic Density: 0.05934920327282797
- Unit Cell Volume: 1415.351771680109
- Molar Volume: 10.146961421396428
- Full Formula: Ca12 B24 S48
- Reduced Formula: Ca(BS2)2
- Formula Anonymous: AB2C4
- Spacegroup Number: 205
- Spacegroup Symbol: Pa-3
- Crystal System: cubic
- Pointgroup: m-3
