UAg(H3Ru)2
Alexandria ALEXAlex-ID: agm007694754 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_464_spg12
UH6Ru Ru Ag
2024-03-05 19:11:44.865951
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007694754).
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 agm007694754
data_agm007694754
_cell_length_a 4.99691
_cell_length_b 5.28378
_cell_length_c 5.17289
_cell_angle_alpha 67.62857
_cell_angle_beta 60.94025
_cell_angle_gamma 60.79133
_cell_volume 102.34257
_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 0.58314 0.27617 0.68763 1.00000
Ag1 Ag 0.01347 0.98245 0.08198 1.00000
H1 H 0.67726 0.69196 0.29095 1.00000
H2 H 0.23594 0.14957 0.16164 1.00000
H3 H 0.96976 0.43251 0.91246 1.00000
H4 H 0.50577 0.83483 0.77981 1.00000
H5 H 0.10896 0.81080 0.61571 1.00000
H6 H 0.32190 0.37358 0.35638 1.00000
Ru1 Ru 0.37535 0.99944 0.44252 1.00000
Ru2 Ru 0.88780 0.55531 0.60161 1.00000
Get direct link