HoAsPd
Alexandria ALEXAlex-ID: agm005683528 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_268_spg11
HoAsPd
2023-06-16 21:24:03.731390
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683528).
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 agm005683528
data_agm005683528
_cell_length_a 4.11207
_cell_length_b 7.00742
_cell_length_c 12.01486
_cell_angle_alpha 89.49049
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 346.19499
_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 0.75000 0.53336 0.37619 1.00000
Ho2 Ho 0.25000 0.96297 0.70697 1.00000
Ho3 Ho 0.75000 0.03703 0.29303 1.00000
Ho4 Ho 0.75000 0.66972 0.07803 1.00000
Ho5 Ho 0.25000 0.46664 0.62381 1.00000
Ho6 Ho 0.25000 0.33028 0.92197 1.00000
As1 As 0.25000 0.74652 0.91291 1.00000
As2 As 0.75000 0.25636 0.75028 1.00000
As3 As 0.75000 0.74968 0.58172 1.00000
As4 As 0.75000 0.25348 0.08709 1.00000
As5 As 0.25000 0.25032 0.41828 1.00000
As6 As 0.25000 0.74364 0.24972 1.00000
Pd1 Pd 0.25000 0.99907 0.09108 1.00000
Pd2 Pd 0.25000 0.85638 0.45760 1.00000
Pd3 Pd 0.75000 0.62463 0.79276 1.00000
Pd4 Pd 0.75000 0.14362 0.54240 1.00000
Pd5 Pd 0.25000 0.37537 0.20724 1.00000
Pd6 Pd 0.75000 0.00093 0.90892 1.00000
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