Table mix-ins: ['Structure', 'Thermodynamics']
Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']
Base Information:
- Database Entry ID: mp-556951
- Created at: Sept. 4, 2022, 2:47 p.m.
- Last updated at: Nov. 28, 2021, 1:38 a.m.
- Input Source: Materials Project
Structure:
- Number of sites: 88
- Number of elements: 5
- Element list: ['Cu', 'H', 'C', 'N', 'O']
- Chemical System: C-Cu-H-N-O
- Density: 2.3746877637373185
- Atomic Density: 0.09330481840288254
- Unit Cell Volume: 943.1452898822783
- Molar Volume: 6.454265560002369
- Full Formula: Cu8 H24 C16 N8 O32
- Reduced Formula: CuH3C2NO4
- Formula Anonymous: ABC2D3E4
- Spacegroup Number: 61
- Spacegroup Symbol: Pbca
- Crystal System: orthorhombic
- Pointgroup: mmm
