Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-96952
- 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: 88
- Number of elements: 4
- Element list: ['Ba', 'Zn', 'B', 'O']
- Chemical System: B-Ba-O-Zn
- Density: 4.487311956289553
- Atomic Density: 0.06494812039239488
- Unit Cell Volume: 1354.927586330957
- Molar Volume: 9.272232550559176
- Full Formula: Ba16 Zn8 B16 O48
- Reduced Formula: Ba2Zn(BO3)2
- Formula Anonymous: AB2C2D6
- Spacegroup Number: 29
- Spacegroup Symbol: Pca2_1
- Crystal System: orthorhombic
- Pointgroup: mm2