U3Pd
Alexandria ALEXAlex-ID: agm015905029 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_5520_spg1
UPd U
2024-11-30 23:47:20.486864
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015905029).
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 agm015905029
data_agm015905029
_cell_length_a 5.92114
_cell_length_b 5.57799
_cell_length_c 7.30423
_cell_angle_alpha 99.20019
_cell_angle_beta 95.82614
_cell_angle_gamma 96.59473
_cell_volume 234.79097
_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
U1 U 0.90169 0.61839 0.89385 1.00000
U2 U 0.10660 0.00087 0.76113 1.00000
U3 U 0.46361 0.56219 0.80904 1.00000
U4 U 0.10341 0.70085 0.43526 1.00000
U5 U 0.87863 0.32050 0.57147 1.00000
U6 U 0.60655 0.45780 0.20620 1.00000
U7 U 0.13961 0.33851 0.08237 1.00000
U8 U 0.87226 0.02325 0.25895 1.00000
U9 U 0.55420 0.76618 0.50338 1.00000
Pd1 Pd 0.64281 0.08837 0.88097 1.00000
Pd2 Pd 0.35166 0.22391 0.46402 1.00000
Pd3 Pd 0.34865 0.90090 0.12991 1.00000
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