Sm2DyU2Ru5
Alexandria ALEXAlex-ID: agm005135271 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_48_spg127
U4Ru3 Sm2URu3 Dy2URu3 URu2
2022-07-15 03:32:47.813462
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005135271).
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 agm005135271
data_agm005135271
_cell_length_a 3.57410
_cell_length_b 10.74178
_cell_length_c 10.74178
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 412.40080
_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
Sm1 Sm 0.00000 0.67525 0.17525 1.00000
Sm2 Sm 0.00000 0.32475 0.82475 1.00000
Sm3 Sm 0.00000 0.17525 0.32475 1.00000
Sm4 Sm 0.00000 0.82475 0.67525 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.00000 0.50000 0.50000 1.00000
U1 U 0.00000 0.13536 0.63536 1.00000
U2 U 0.00000 0.86464 0.36464 1.00000
U3 U 0.00000 0.63536 0.86464 1.00000
U4 U 0.00000 0.36464 0.13536 1.00000
Ru1 Ru 0.50000 0.21463 0.05151 1.00000
Ru2 Ru 0.50000 0.78537 0.94849 1.00000
Ru3 Ru 0.50000 0.05151 0.78537 1.00000
Ru4 Ru 0.50000 0.71463 0.44849 1.00000
Ru5 Ru 0.50000 0.94849 0.21463 1.00000
Ru6 Ru 0.50000 0.28537 0.55151 1.00000
Ru7 Ru 0.50000 0.55151 0.71463 1.00000
Ru8 Ru 0.50000 0.44849 0.28537 1.00000
Ru9 Ru 0.50000 0.50000 0.00000 1.00000
Ru10 Ru 0.50000 0.00000 0.50000 1.00000
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