Cd3Cu7Pd2
Alexandria ALEXAlex-ID: agm024313303 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
Cd2Pd Cu CdPd
2025-05-16 02:39:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024313303).
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 agm024313303
data_agm024313303
_cell_length_a 8.98270
_cell_length_b 8.98270
_cell_length_c 8.98270
_cell_angle_alpha 32.20044
_cell_angle_beta 32.20044
_cell_angle_gamma 32.20044
_cell_volume 182.92592
_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
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.14495 0.14495 0.14495 1.00000
Cd3 Cd 0.85505 0.85505 0.85505 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Cu2 Cu 0.08489 0.58711 0.58711 1.00000
Cu3 Cu 0.58711 0.58711 0.08489 1.00000
Cu4 Cu 0.58711 0.08489 0.58711 1.00000
Cu5 Cu 0.91511 0.41289 0.41289 1.00000
Cu6 Cu 0.41289 0.91511 0.41289 1.00000
Cu7 Cu 0.41289 0.41289 0.91511 1.00000
Pd1 Pd 0.33297 0.33297 0.33297 1.00000
Pd2 Pd 0.66703 0.66703 0.66703 1.00000
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