Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-44827
- Created at: Sept. 4, 2022, 3:31 p.m.
- Last updated at: Sept. 4, 2022, 3:31 p.m.
- Input Source: OQMD
Structure:
- Number of sites: 72
- Number of elements: 3
- Element list: ['As', 'Ba', 'S']
- Chemical System: As-Ba-S
- Density: 3.909556613361491
- Atomic Density: 0.03623239716052034
- Unit Cell Volume: 1987.1718584066768
- Molar Volume: 16.620873118938608
- Full Formula: Ba16 As16 S40
- Reduced Formula: Ba2As2S5
- Formula Anonymous: A2B2C5
- Spacegroup Number: 29
- Spacegroup Symbol: Pca2_1
- Crystal System: orthorhombic
- Pointgroup: mm2
