Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-114722
- 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: 3
- Number of elements: 3
- Element list: ['Ca', 'Zr', 'O']
- Chemical System: Ca-O-Zr
- Density: 4.660678630009816
- Atomic Density: 0.05716292463630864
- Unit Cell Volume: 52.4815694628484
- Molar Volume: 10.535046620366353
- Full Formula: Ca1 Zr1 O1
- Reduced Formula: CaZrO
- Formula Anonymous: ABC
- Spacegroup Number: 187
- Spacegroup Symbol: P-6m2
- Crystal System: hexagonal
- Pointgroup: -6m2
