Table mix-ins: ['Structure']
Extra columns: ['formation_energy']
Base Information:
- Database Entry ID: oqmd-652633
- 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: 52
- Number of elements: 3
- Element list: ['Ba', 'P', 'Se']
- Chemical System: Ba-P-Se
- Density: 4.6326049267364215
- Atomic Density: 0.03280334572844919
- Unit Cell Volume: 1585.2041566266892
- Molar Volume: 18.35831262412117
- Full Formula: Ba12 P8 Se32
- Reduced Formula: Ba3(PSe4)2
- Formula Anonymous: A2B3C8
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m
