YPuPd3
Alexandria ALEXAlex-ID: agm013368675 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_9914_spg12
PuPd Y3Pd5 PuPd2
2024-06-02 04:42:25.094945
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013368675).
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 agm013368675
data_agm013368675
_cell_length_a 7.78536
_cell_length_b 7.78536
_cell_length_c 7.28925
_cell_angle_alpha 80.95982
_cell_angle_beta 80.95982
_cell_angle_gamma 28.14501
_cell_volume 205.65368
_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 0.37368 0.37368 0.53655 1.00000
Y2 Y 0.62632 0.62632 0.46345 1.00000
Pu1 Pu 0.59461 0.59461 0.98199 1.00000
Pu2 Pu 0.40539 0.40539 0.01801 1.00000
Pd1 Pd 0.81468 0.81468 0.27343 1.00000
Pd2 Pd 0.99695 0.99695 0.71186 1.00000
Pd3 Pd 0.00305 0.00305 0.28814 1.00000
Pd4 Pd 0.20199 0.20199 0.14664 1.00000
Pd5 Pd 0.18532 0.18532 0.72657 1.00000
Pd6 Pd 0.79801 0.79801 0.85336 1.00000
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