Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-36937
- Created at: Sept. 4, 2022, 2:38 p.m.
- Last updated at: Sept. 4, 2022, 2:38 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 20
- Number of elements: 3
- Element list: ['Ba', 'Zr', 'Se']
- Chemical System: Ba-Se-Zr
- Density: 5.563456550145247
- Atomic Density: 0.035992358124724094
- Unit Cell Volume: 555.6735107684283
- Molar Volume: 16.731720492254254
- Full Formula: Ba4 Zr4 Se12
- Reduced Formula: BaZrSe3
- Formula Anonymous: ABC3
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm
