Zn3Co2Cu
Alexandria ALEXAlex-ID: agm017379760 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1919_spg62
Zn11Co2 Zn8Cu5 Co
2025-04-13 14:51:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017379760).
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 agm017379760
data_agm017379760
_cell_length_a 3.70352
_cell_length_b 7.76499
_cell_length_c 10.42623
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 299.83578
_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
Zn1 Zn 0.25000 0.90945 0.55842 1.00000
Zn2 Zn 0.75000 0.09055 0.44158 1.00000
Zn3 Zn 0.75000 0.40945 0.94158 1.00000
Zn4 Zn 0.25000 0.59055 0.05842 1.00000
Zn5 Zn 0.25000 0.23719 0.81586 1.00000
Zn6 Zn 0.75000 0.76281 0.18414 1.00000
Zn7 Zn 0.75000 0.73719 0.68414 1.00000
Zn8 Zn 0.25000 0.26281 0.31586 1.00000
Zn9 Zn 0.25000 0.90665 0.81719 1.00000
Zn10 Zn 0.75000 0.09335 0.18281 1.00000
Zn11 Zn 0.75000 0.40665 0.68281 1.00000
Zn12 Zn 0.25000 0.59335 0.31719 1.00000
Co1 Co 0.25000 0.26276 0.07303 1.00000
Co2 Co 0.75000 0.73724 0.92697 1.00000
Co3 Co 0.75000 0.76276 0.42697 1.00000
Co4 Co 0.25000 0.23724 0.57303 1.00000
Co5 Co 0.25000 0.57474 0.81533 1.00000
Co6 Co 0.75000 0.42526 0.18467 1.00000
Co7 Co 0.75000 0.07474 0.68467 1.00000
Co8 Co 0.25000 0.92526 0.31533 1.00000
Cu1 Cu 0.25000 0.57709 0.56055 1.00000
Cu2 Cu 0.75000 0.42291 0.43945 1.00000
Cu3 Cu 0.75000 0.07709 0.93945 1.00000
Cu4 Cu 0.25000 0.92291 0.06055 1.00000
