Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-22499
- 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: 25
- Number of elements: 3
- Element list: ['Ca', 'Ti', 'S']
- Chemical System: Ca-S-Ti
- Density: 3.0602551779323144
- Atomic Density: 0.04922068451551943
- Unit Cell Volume: 507.91654455998923
- Molar Volume: 12.234979702692272
- Full Formula: Ca1 Ti8 S16
- Reduced Formula: Ca(TiS2)8
- Formula Anonymous: AB8C16
- Spacegroup Number: 164
- Spacegroup Symbol: P-3m1
- Crystal System: trigonal
- Pointgroup: -3m1
