Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-86949
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 7
- Number of elements: 5
- Element list: ['K', 'Ca', 'C', 'O', 'F']
- Chemical System: C-Ca-F-K-O
- Density: 2.6035198862748232
- Atomic Density: 0.06938224974266546
- Unit Cell Volume: 100.89035777828728
- Molar Volume: 8.679656226680098
- Full Formula: K1 Ca1 C1 O3 F1
- Reduced Formula: KCaCO3F
- Formula Anonymous: ABCDE3
- Spacegroup Number: 187
- Spacegroup Symbol: P-6m2
- Crystal System: hexagonal
- Pointgroup: -6m2
