Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-63374
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 20
- Number of elements: 2
- Element list: ['Zr', 'As']
- Chemical System: As-Zr
- Density: 6.895762291278173
- Atomic Density: 0.04902687221134944
- Unit Cell Volume: 407.93954616933763
- Molar Volume: 12.283346843011351
- Full Formula: Zr12 As8
- Reduced Formula: Zr3As2
- Formula Anonymous: A2B3
- Spacegroup Number: 62
- Spacegroup Symbol: Pnma
- Crystal System: orthorhombic
- Pointgroup: mmm