Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-98350
- 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: 14
- Number of elements: 5
- Element list: ['Ba', 'Nd', 'Nb', 'Cu', 'O']
- Chemical System: Ba-Cu-Nb-Nd-O
- Density: 6.610767744094224
- Atomic Density: 0.07267716880506482
- Unit Cell Volume: 192.63271024702257
- Molar Volume: 8.286152114913316
- Full Formula: Ba2 Nd1 Nb1 Cu2 O8
- Reduced Formula: Ba2NdNb(CuO4)2
- Formula Anonymous: ABC2D2E8
- Spacegroup Number: 123
- Spacegroup Symbol: P4/mmm
- Crystal System: tetragonal
- Pointgroup: 4/mmm