Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-5392
- 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: 20
- Number of elements: 3
- Element list: ['Nb', 'Cl', 'O']
- Chemical System: Cl-Nb-O
- Density: 3.1047729265398702
- Atomic Density: 0.043428794059858875
- Unit Cell Volume: 460.5239549694508
- Molar Volume: 13.866700400889671
- Full Formula: Nb4 Cl12 O4
- Reduced Formula: NbCl3O
- Formula Anonymous: ABC3
- Spacegroup Number: 136
- Spacegroup Symbol: P4_2/mnm
- Crystal System: tetragonal
- Pointgroup: 4/mmm
