U8Pd2Ru3
Alexandria ALEXAlex-ID: agm010223772 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_285_spg10
U2Ru UPd
2024-03-18 10:01:41.620692
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010223772).
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 agm010223772
data_agm010223772
_cell_length_a 2.86341
_cell_length_b 9.79112
_cell_length_c 9.62211
_cell_angle_alpha 67.70353
_cell_angle_beta 83.34623
_cell_angle_gamma 85.01766
_cell_volume 247.64488
_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 0.48604 0.40889 0.13966 1.00000
U2 U 0.51396 0.59111 0.86034 1.00000
U3 U 0.73401 0.80391 0.26831 1.00000
U4 U 0.26599 0.19609 0.73169 1.00000
U5 U 0.67662 0.47171 0.64975 1.00000
U6 U 0.85889 0.93014 0.73940 1.00000
U7 U 0.14111 0.06986 0.26060 1.00000
U8 U 0.32338 0.52829 0.35025 1.00000
Pd1 Pd 0.12320 0.77479 0.55712 1.00000
Pd2 Pd 0.87680 0.22521 0.44288 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Ru2 Ru 0.12925 0.73056 0.03157 1.00000
Ru3 Ru 0.87075 0.26944 0.96843 1.00000
Get direct link