Cu2C3
Alexandria ALEXAlex-ID: agm005506589 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_580_spg43
C Cu
2023-03-19 17:26:16.016514
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506589).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005506589
data_agm005506589
_cell_length_a 8.53020
_cell_length_b 7.14159
_cell_length_c 5.13663
_cell_angle_alpha 86.38737
_cell_angle_beta 56.67304
_cell_angle_gamma 36.93960
_cell_volume 104.10386
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1 Cu 0.70831 0.13425 0.76616 1.00000
Cu2 Cu 0.39128 0.76616 0.13425 1.00000
Cu3 Cu 0.48384 0.85872 0.54169 1.00000
Cu4 Cu 0.11575 0.54169 0.85872 1.00000
C1 C 0.13254 0.26332 0.14374 1.00000
C2 C 0.46040 0.14374 0.26332 1.00000
C3 C 0.10626 0.78960 0.11746 1.00000
C4 C 0.98668 0.11746 0.78960 1.00000
C5 C 0.30747 0.19253 0.19253 1.00000
C6 C 0.05747 0.94253 0.94253 1.00000
Get direct link