Hf(CuPd3)2
Alexandria ALEXAlex-ID: agm003500217 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_643_spg12
HfCu2Pd5 HfPd5 Cu7Pd5
2022-02-24 09:32:32.030143
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003500217).
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 agm003500217
data_agm003500217
_cell_length_a 4.00663
_cell_length_b 4.76413
_cell_length_c 8.38786
_cell_angle_alpha 71.67559
_cell_angle_beta 76.18222
_cell_angle_gamma 65.13389
_cell_volume 136.83813
_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
Hf1 Hf 0.00000 0.50000 0.50000 1.00000
Cu1 Cu 0.32197 0.62418 0.73187 1.00000
Cu2 Cu 0.67803 0.37582 0.26813 1.00000
Pd1 Pd 0.66477 0.72405 0.94642 1.00000
Pd2 Pd 0.33523 0.27595 0.05358 1.00000
Pd3 Pd 0.00603 0.81315 0.17479 1.00000
Pd4 Pd 0.33776 0.93600 0.38847 1.00000
Pd5 Pd 0.99397 0.18685 0.82521 1.00000
Pd6 Pd 0.66224 0.06400 0.61153 1.00000
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