Re3(TcRu)4
Alexandria ALEXAlex-ID: agm005709160 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
ReTcRu2 ReTcRu Tc5Ru2
2023-07-02 02:00:38.282283
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709160).
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 agm005709160
data_agm005709160
_cell_length_a 2.72790
_cell_length_b 3.87486
_cell_length_c 15.24931
_cell_angle_alpha 97.36539
_cell_angle_beta 95.06779
_cell_angle_gamma 90.10156
_cell_volume 159.21975
_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
Re1 Re 0.63637 0.63581 0.27232 1.00000
Re2 Re 0.36361 0.36422 0.72768 1.00000
Re3 Re 0.00001 0.00001 0.00001 1.00000
Tc1 Tc 0.54515 0.54503 0.09119 1.00000
Tc2 Tc 0.45486 0.45500 0.90883 1.00000
Tc3 Tc 0.81723 0.81696 0.63387 1.00000
Tc4 Tc 0.18272 0.18306 0.36612 1.00000
Ru1 Ru 0.09157 0.09164 0.18323 1.00000
Ru2 Ru 0.27349 0.27385 0.54640 1.00000
Ru3 Ru 0.72643 0.72617 0.45357 1.00000
Ru4 Ru 0.90843 0.90839 0.81678 1.00000
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