Y3Pd5
Alexandria ALEXAlex-ID: agm010189634 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_375_spg62
Y3Pd5
2024-06-02 03:27:12.676177
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010189634).
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 agm010189634
data_agm010189634
_cell_length_a 5.84189
_cell_length_b 9.66736
_cell_length_c 11.39112
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 643.32123
_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
Y1 Y 0.60231 0.25000 0.05502 1.00000
Y2 Y 0.89769 0.25000 0.55502 1.00000
Y3 Y 0.39769 0.75000 0.94498 1.00000
Y4 Y 0.10231 0.75000 0.44498 1.00000
Y5 Y 0.12983 0.50385 0.14833 1.00000
Y6 Y 0.37017 0.99615 0.64833 1.00000
Y7 Y 0.87017 0.00385 0.85167 1.00000
Y8 Y 0.62983 0.49615 0.35167 1.00000
Y9 Y 0.87017 0.49615 0.85167 1.00000
Y10 Y 0.62983 0.00385 0.35167 1.00000
Y11 Y 0.12983 0.99615 0.14833 1.00000
Y12 Y 0.37017 0.50385 0.64833 1.00000
Pd1 Pd 0.42009 0.25000 0.50941 1.00000
Pd2 Pd 0.07991 0.25000 0.00941 1.00000
Pd3 Pd 0.57991 0.75000 0.49059 1.00000
Pd4 Pd 0.92009 0.75000 0.99059 1.00000
Pd5 Pd 0.35721 0.25000 0.26683 1.00000
Pd6 Pd 0.14279 0.25000 0.76683 1.00000
Pd7 Pd 0.64279 0.75000 0.73317 1.00000
Pd8 Pd 0.85721 0.75000 0.23317 1.00000
Pd9 Pd 0.88227 0.25000 0.26209 1.00000
Pd10 Pd 0.61773 0.25000 0.76209 1.00000
Pd11 Pd 0.11773 0.75000 0.73791 1.00000
Pd12 Pd 0.38227 0.75000 0.23791 1.00000
Pd13 Pd 0.13294 0.45326 0.40390 1.00000
Pd14 Pd 0.36706 0.04674 0.90390 1.00000
Pd15 Pd 0.86706 0.95326 0.59610 1.00000
Pd16 Pd 0.63294 0.54674 0.09610 1.00000
Pd17 Pd 0.86706 0.54674 0.59610 1.00000
Pd18 Pd 0.63294 0.95326 0.09610 1.00000
Pd19 Pd 0.13294 0.04674 0.40390 1.00000
Pd20 Pd 0.36706 0.45326 0.90390 1.00000
