U3Zn3Ru2
Alexandria ALEXAlex-ID: agm009656993 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_64_spg63
U(Zn10Ru)2 UZnRu2 U
2024-04-20 21:21:33.683570
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009656993).
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 agm009656993
data_agm009656993
_cell_length_a 11.01760
_cell_length_b 5.18818
_cell_length_c 5.63257
_cell_angle_alpha 65.39084
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 292.72086
_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 0.39315 0.32217 0.22372 1.00000
U2 U 0.89315 0.67783 0.77628 1.00000
U3 U 0.10685 0.32217 0.22372 1.00000
U4 U 0.60685 0.67783 0.77628 1.00000
U5 U 0.25000 0.73958 0.14818 1.00000
U6 U 0.75000 0.26042 0.85182 1.00000
Zn1 Zn 0.52767 0.82428 0.23294 1.00000
Zn2 Zn 0.02767 0.17572 0.76706 1.00000
Zn3 Zn 0.97233 0.82428 0.23294 1.00000
Zn4 Zn 0.47233 0.17572 0.76706 1.00000
Zn5 Zn 0.25000 0.28887 0.69760 1.00000
Zn6 Zn 0.75000 0.71113 0.30240 1.00000
Ru1 Ru 0.88838 0.27646 0.32443 1.00000
Ru2 Ru 0.38838 0.72354 0.67557 1.00000
Ru3 Ru 0.61162 0.27646 0.32443 1.00000
Ru4 Ru 0.11162 0.72354 0.67557 1.00000
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