Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-87190
- Created at: Sept. 4, 2022, 2:35 p.m.
- Last updated at: Sept. 4, 2022, 2:35 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 40
- Number of elements: 5
- Element list: ['Tl', 'Fe', 'C', 'N', 'O']
- Chemical System: C-Fe-N-O-Tl
- Density: 3.6656399171626988
- Atomic Density: 0.05898231803388661
- Unit Cell Volume: 678.1693452098499
- Molar Volume: 10.21007813992687
- Full Formula: Tl4 Fe4 C12 N4 O16
- Reduced Formula: TlFeC3NO4
- Formula Anonymous: ABCD3E4
- Spacegroup Number: 198
- Spacegroup Symbol: P2_13
- Crystal System: cubic
- Pointgroup: 23
