Co2(CuNi2)3
Alexandria ALEXAlex-ID: agm005589623 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_170_spg166
Cu CoNi3
2023-06-14 13:40:24.923226
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005589623).
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 agm005589623
data_agm005589623
_cell_length_a 2.50160
_cell_length_b 2.50160
_cell_length_c 22.63171
_cell_angle_alpha 86.83178
_cell_angle_beta 86.83178
_cell_angle_gamma 60.00001
_cell_volume 122.40486
_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
Co1 Co 0.54493 0.54493 0.36522 1.00000
Co2 Co 0.45507 0.45507 0.63478 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Cu2 Cu 0.72777 0.72777 0.81670 1.00000
Cu3 Cu 0.27223 0.27223 0.18330 1.00000
Ni1 Ni 0.90789 0.90789 0.27634 1.00000
Ni2 Ni 0.09211 0.09211 0.72366 1.00000
Ni3 Ni 0.81818 0.81818 0.54547 1.00000
Ni4 Ni 0.18182 0.18182 0.45453 1.00000
Ni5 Ni 0.63610 0.63610 0.09169 1.00000
Ni6 Ni 0.36390 0.36390 0.90831 1.00000
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