Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-675835
- 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: ['Al', 'Ba', 'S']
- Chemical System: Al-Ba-S
- Density: 3.072476601457233
- Atomic Density: 0.04053205281942976
- Unit Cell Volume: 2072.4338926088913
- Molar Volume: 14.857724544149365
- Full Formula: Ba12 Al24 S48
- Reduced Formula: Ba(AlS2)2
- Formula Anonymous: AB2C4
- Spacegroup Number: 205
- Spacegroup Symbol: Pa-3
- Crystal System: cubic
- Pointgroup: m-3
