Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-113572
- 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', 'S']
- Chemical System: Ca-S-Zr
- Density: 2.8577280272539567
- Atomic Density: 0.031603029571212776
- Unit Cell Volume: 94.92760791303066
- Molar Volume: 19.05558056207868
- Full Formula: Ca1 Zr1 S1
- Reduced Formula: CaZrS
- Formula Anonymous: ABC
- Spacegroup Number: 99
- Spacegroup Symbol: P4mm
- Crystal System: tetragonal
- Pointgroup: 4mm
