UH3Ru
Alexandria ALEXAlex-ID: agm006689656 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_9916_spg11
U4H15 UH5Ru UHRu3
2024-02-24 10:25:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006689656).
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 agm006689656
data_agm006689656
_cell_length_a 6.02959
_cell_length_b 6.02959
_cell_length_c 4.61958
_cell_angle_alpha 90.80119
_cell_angle_beta 90.80119
_cell_angle_gamma 37.26543
_cell_volume 101.68366
_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 0.19827 0.19827 0.02265 1.00000
U2 U 0.93812 0.93812 0.54377 1.00000
H1 H 0.75885 0.75885 0.78568 1.00000
H2 H 0.63009 0.63009 0.17148 1.00000
H3 H 0.36442 0.36442 0.31238 1.00000
H4 H 0.98185 0.98185 0.04452 1.00000
H5 H 0.36940 0.36940 0.77237 1.00000
H6 H 0.14477 0.14477 0.53033 1.00000
Ru1 Ru 0.63825 0.63825 0.54505 1.00000
Ru2 Ru 0.47402 0.47402 0.04754 1.00000
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