U2H8Ru3
Alexandria ALEXAlex-ID: agm006346307 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_9_spg12
UH5Ru UHRu3
2024-02-25 04:30:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006346307).
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 agm006346307
data_agm006346307
_cell_length_a 5.50827
_cell_length_b 5.50827
_cell_length_c 4.93844
_cell_angle_alpha 69.21868
_cell_angle_beta 69.21868
_cell_angle_gamma 61.43316
_cell_volume 119.86654
_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 0.32927 0.32927 0.17322 1.00000
U2 U 0.67073 0.67073 0.82678 1.00000
H1 H 0.63259 0.63259 0.38195 1.00000
H2 H 0.36741 0.36741 0.61805 1.00000
H3 H 0.11381 0.11381 0.61225 1.00000
H4 H 0.88619 0.88619 0.38775 1.00000
H5 H 0.05490 0.69318 0.88671 1.00000
H6 H 0.69318 0.05490 0.88671 1.00000
H7 H 0.30682 0.94510 0.11329 1.00000
H8 H 0.94510 0.30682 0.11329 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.75208 0.24792 0.50000 1.00000
Ru3 Ru 0.24792 0.75208 0.50000 1.00000
Get direct link