Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-45400
- Created at: Sept. 4, 2022, 2:37 p.m.
- Last updated at: Sept. 4, 2022, 2:37 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 20
- Number of elements: 3
- Element list: ['Ca', 'P', 'S']
- Chemical System: Ca-P-S
- Density: 2.5365472340558917
- Atomic Density: 0.04566738485840496
- Unit Cell Volume: 437.94931682669045
- Molar Volume: 13.186962158380833
- Full Formula: Ca4 P4 S12
- Reduced Formula: CaPS3
- Formula Anonymous: ABC3
- Spacegroup Number: 14
- Spacegroup Symbol: P12_1/c1
- Crystal System: monoclinic
- Pointgroup: 2/m
