YU7Pd3
Alexandria ALEXAlex-ID: agm012828673 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_649_spg8
Y3Pd4 UPd U
2024-06-28 11:54:59.275673
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012828673).
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 agm012828673
data_agm012828673
_cell_length_a 5.65103
_cell_length_b 5.65103
_cell_length_c 9.24268
_cell_angle_alpha 74.45542
_cell_angle_beta 74.45542
_cell_angle_gamma 116.34576
_cell_volume 227.80224
_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 0.11239 0.11239 0.31415 1.00000
U1 U 0.77536 0.77536 0.07658 1.00000
U2 U 0.47554 0.47554 0.49377 1.00000
U3 U 0.28532 0.28532 0.85675 1.00000
U4 U 0.23945 0.68437 0.95267 1.00000
U5 U 0.68437 0.23945 0.95267 1.00000
U6 U 0.03252 0.51451 0.63188 1.00000
U7 U 0.51451 0.03252 0.63188 1.00000
Pd1 Pd 0.88059 0.88059 0.72488 1.00000
Pd2 Pd 0.10838 0.61864 0.29190 1.00000
Pd3 Pd 0.61864 0.10838 0.29190 1.00000
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