Ho(Pd2Au)2
Alexandria ALEXAlex-ID: agm005841576 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2498_spg1
HoPd4Au3 Ho(Pd3Au)2 Ho2Pd5Au
2023-10-14 15:17:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005841576).
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 agm005841576
data_agm005841576
_cell_length_a 5.78951
_cell_length_b 7.29227
_cell_length_c 7.37936
_cell_angle_alpha 118.15241
_cell_angle_beta 112.02552
_cell_angle_gamma 91.24431
_cell_volume 247.00620
_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
Ho1 Ho 0.22240 0.66763 0.44575 1.00000
Ho2 Ho 0.96264 0.00435 0.92331 1.00000
Pd1 Pd 0.78437 0.10405 0.57899 1.00000
Pd2 Pd 0.39676 0.57629 0.77994 1.00000
Pd3 Pd 0.42944 0.29338 0.35962 1.00000
Pd4 Pd 0.92274 0.29075 0.35531 1.00000
Pd5 Pd 0.89197 0.56351 0.76693 1.00000
Pd6 Pd 0.84509 0.83963 0.17791 1.00000
Pd7 Pd 0.24486 0.38646 0.99987 1.00000
Pd8 Pd 0.47058 0.01964 0.93990 1.00000
Au1 Au 0.70800 0.65756 0.41568 1.00000
Au2 Au 0.28115 0.12124 0.58728 1.00000
Au3 Au 0.74707 0.38717 0.99382 1.00000
Au4 Au 0.34295 0.83833 0.17570 1.00000
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