Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-91424
- 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: 84
- Number of elements: 4
- Element list: ['Ca', 'Nb', 'O', 'F']
- Chemical System: Ca-F-Nb-O
- Density: 4.06834580425725
- Atomic Density: 0.07127572152219276
- Unit Cell Volume: 1178.5219175065852
- Molar Volume: 8.44907723329734
- Full Formula: Ca12 Nb16 O48 F8
- Reduced Formula: Ca3Nb4(O6F)2
- Formula Anonymous: A2B3C4D12
- Spacegroup Number: 212
- Spacegroup Symbol: P4_332
- Crystal System: cubic
- Pointgroup: 432
