Cu7Pd4
Alexandria ALEXAlex-ID: agm009679152 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B7_284_spg6
Cu2Pd Cu7Pd5
2024-04-17 22:36:42.743282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009679152).
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 agm009679152
data_agm009679152
_cell_length_a 15.07457
_cell_length_b 15.07457
_cell_length_c 15.07457
_cell_angle_alpha 169.47654
_cell_angle_beta 166.46177
_cell_angle_gamma 17.17755
_cell_volume 146.45047
_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 0.90681 0.40681 0.50000 1.00000
Cu2 Cu 0.72874 0.22874 0.50000 1.00000
Cu3 Cu 0.27126 0.77126 0.50000 1.00000
Cu4 Cu 0.09319 0.59319 0.50000 1.00000
Cu5 Cu 0.36406 0.86406 0.50000 1.00000
Cu6 Cu 0.63594 0.13594 0.50000 1.00000
Cu7 Cu 0.00000 0.50000 0.50000 1.00000
Pd1 Pd 0.45279 0.95279 0.50000 1.00000
Pd2 Pd 0.54721 0.04721 0.50000 1.00000
Pd3 Pd 0.18224 0.68224 0.50000 1.00000
Pd4 Pd 0.81776 0.31776 0.50000 1.00000
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