Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-57070
- 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: 28
- Number of elements: 4
- Element list: ['Pr', 'Nb', 'Cl', 'O']
- Chemical System: Cl-Nb-O-Pr
- Density: 4.63895958308172
- Atomic Density: 0.0493611470934667
- Unit Cell Volume: 567.2477575730002
- Molar Volume: 12.200163721067725
- Full Formula: Pr6 Nb2 Cl12 O8
- Reduced Formula: Pr3Nb(Cl3O2)2
- Formula Anonymous: AB3C4D6
- Spacegroup Number: 176
- Spacegroup Symbol: P6_3/m
- Crystal System: hexagonal
- Pointgroup: 6/m