ZrCu5Pd6
Alexandria ALEXAlex-ID: agm003676699 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
ZrCu2Pd5 Cu2Pd ZrPd3
2022-04-09 20:46:46.976259
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676699).
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 agm003676699
data_agm003676699
_cell_length_a 8.23205
_cell_length_b 4.05132
_cell_length_c 6.33402
_cell_angle_alpha 71.34878
_cell_angle_beta 80.92996
_cell_angle_gamma 60.46676
_cell_volume 174.14434
_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
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.50000 0.16334 0.67332 1.00000
Cu2 Cu 0.00000 0.32679 0.34642 1.00000
Cu3 Cu 0.50000 0.50000 0.00000 1.00000
Cu4 Cu 1.00000 0.67321 0.65358 1.00000
Cu5 Cu 0.50000 0.83666 0.32668 1.00000
Pd1 Pd 0.74245 0.08907 0.33703 1.00000
Pd2 Pd 0.25755 0.57390 0.33703 1.00000
Pd3 Pd 0.25595 0.24367 0.00000 1.00000
Pd4 Pd 0.74405 0.75633 1.00000 1.00000
Pd5 Pd 0.74245 0.42610 0.66297 1.00000
Pd6 Pd 0.25755 0.91093 0.66297 1.00000
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