Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-118369
- 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', 'Al', 'S']
- Chemical System: Al-Ca-S
- Density: 1.995170133208841
- Atomic Density: 0.036363938403695485
- Unit Cell Volume: 82.4993147523076
- Molar Volume: 16.560749534731364
- Full Formula: Ca1 Al1 S1
- Reduced Formula: CaAlS
- Formula Anonymous: ABC
- Spacegroup Number: 187
- Spacegroup Symbol: P-6m2
- Crystal System: hexagonal
- Pointgroup: -6m2
