Hf3(Cu2Pd)2
Alexandria ALEXAlex-ID: agm005686363 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
Hf3Cu8 HfCuPd Hf7Cu10
2023-06-26 23:46:35.250491
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686363).
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 agm005686363
data_agm005686363
_cell_length_a 4.77139
_cell_length_b 7.98457
_cell_length_c 7.98456
_cell_angle_alpha 75.27059
_cell_angle_beta 82.08372
_cell_angle_gamma 82.08354
_cell_volume 289.71173
_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 0.08594 0.96455 0.71829 1.00000
Hf2 Hf 0.41406 0.28171 0.03545 1.00000
Hf3 Hf 0.91406 0.03545 0.28171 1.00000
Hf4 Hf 0.58594 0.71829 0.96455 1.00000
Hf5 Hf 0.25000 0.37806 0.62194 1.00000
Hf6 Hf 0.75000 0.62194 0.37806 1.00000
Cu1 Cu 0.53303 0.07859 0.80729 1.00000
Cu2 Cu 0.96697 0.19271 0.92141 1.00000
Cu3 Cu 0.46697 0.92141 0.19271 1.00000
Cu4 Cu 0.03303 0.80729 0.07859 1.00000
Cu5 Cu 0.63611 0.86405 0.60003 1.00000
Cu6 Cu 0.86389 0.39997 0.13595 1.00000
Cu7 Cu 0.36389 0.13595 0.39997 1.00000
Cu8 Cu 0.13611 0.60003 0.86405 1.00000
Pd1 Pd 0.19524 0.73835 0.50276 1.00000
Pd2 Pd 0.30476 0.49724 0.26164 1.00000
Pd3 Pd 0.80476 0.26165 0.49724 1.00000
Pd4 Pd 0.69524 0.50276 0.73836 1.00000
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