Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-51602
- 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: 18
- Number of elements: 3
- Element list: ['Ba', 'Nb', 'O']
- Chemical System: Ba-Nb-O
- Density: 5.2850366296193885
- Atomic Density: 0.06834177958945485
- Unit Cell Volume: 263.3820791341729
- Molar Volume: 8.811799745596934
- Full Formula: Ba2 Nb4 O12
- Reduced Formula: BaNb2O6
- Formula Anonymous: AB2C6
- Spacegroup Number: 51
- Spacegroup Symbol: Pmma
- Crystal System: orthorhombic
- Pointgroup: mmm
