TbU2Ru3
Alexandria ALEXAlex-ID: agm034640366 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_935_spg12
U4Ru3 Tb2URu3 URu2
2025-04-14 08:05:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034640366).
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
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# CIF generated by HEAS from Alexandria entry agm034640366
data_agm034640366
_cell_length_a 7.61321
_cell_length_b 7.61321
_cell_length_c 7.14867
_cell_angle_alpha 88.41031
_cell_angle_beta 91.58969
_cell_angle_gamma 35.35029
_cell_volume 238.72609
_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
Tb1 Tb 0.67116 0.67116 0.00000 1.00000
Tb2 Tb 0.32884 0.32884 0.00000 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
U2 U 0.00000 0.00000 0.50000 1.00000
U3 U 0.65952 0.65952 0.50000 1.00000
U4 U 0.34048 0.34048 0.50000 1.00000
Ru1 Ru 0.12457 0.20105 0.70481 1.00000
Ru2 Ru 0.45575 0.54425 0.21171 1.00000
Ru3 Ru 0.87543 0.79895 0.29519 1.00000
Ru4 Ru 0.20105 0.12457 0.29519 1.00000
Ru5 Ru 0.79895 0.87543 0.70481 1.00000
Ru6 Ru 0.54425 0.45575 0.78829 1.00000
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