Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-120417
- 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: 12
- Number of elements: 5
- Element list: ['Ca', 'Nb', 'Cu', 'Br', 'O']
- Chemical System: Br-Ca-Cu-Nb-O
- Density: 4.471492062319022
- Atomic Density: 0.06713295482681866
- Unit Cell Volume: 178.74976650374057
- Molar Volume: 8.970468789188825
- Full Formula: Ca1 Nb2 Cu1 Br1 O7
- Reduced Formula: CaNb2CuBrO7
- Formula Anonymous: ABCD2E7
- Spacegroup Number: 123
- Spacegroup Symbol: P4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
