Ce2ZnCu3
Alexandria ALEXAlex-ID: agm020546207 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_194_spg69
CeZnCu CeCu2
2024-12-26 12:33:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020546207).
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
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# CIF generated by HEAS from Alexandria entry agm020546207
data_agm020546207
_cell_length_a 8.94680
_cell_length_b 8.40969
_cell_length_c 5.53831
_cell_angle_alpha 76.74982
_cell_angle_beta 66.19761
_cell_angle_gamma 37.05256
_cell_volume 226.44155
_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
Ce1 Ce 0.25000 0.25000 0.25000 1.00000
Ce2 Ce 0.23228 0.76772 0.76772 1.00000
Ce3 Ce 0.75000 0.75000 0.75000 1.00000
Ce4 Ce 0.76772 0.23228 0.23228 1.00000
Zn1 Zn 0.66496 0.66496 0.33504 1.00000
Zn2 Zn 0.33504 0.33504 0.66496 1.00000
Cu1 Cu 0.83002 0.33538 0.66462 1.00000
Cu2 Cu 0.66462 0.16998 0.83002 1.00000
Cu3 Cu 0.16998 0.66462 0.33538 1.00000
Cu4 Cu 0.33538 0.83002 0.16998 1.00000
Cu5 Cu 0.16733 0.16733 0.83267 1.00000
Cu6 Cu 0.83267 0.83267 0.16733 1.00000
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