Re3(Tc2Ru)2
Alexandria ALEXAlex-ID: agm005595045 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_295_spg15
Re2Tc5Ru ReTcRu Re3Ru
2023-06-29 04:16:20.019997
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005595045).
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 agm005595045
data_agm005595045
_cell_length_a 4.67067
_cell_length_b 7.86022
_cell_length_c 7.86022
_cell_angle_alpha 70.72503
_cell_angle_beta 83.35496
_cell_angle_gamma 83.35491
_cell_volume 269.63640
_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 0.06245 0.93743 0.71559 1.00000
Re2 Re 0.43755 0.28441 0.06257 1.00000
Re3 Re 0.93755 0.06257 0.28441 1.00000
Re4 Re 0.56245 0.71559 0.93743 1.00000
Re5 Re 0.25000 0.34852 0.65148 1.00000
Re6 Re 0.75000 0.65148 0.34852 1.00000
Tc1 Tc 0.55202 0.06574 0.81887 1.00000
Tc2 Tc 0.94798 0.18113 0.93426 1.00000
Tc3 Tc 0.44798 0.93426 0.18113 1.00000
Tc4 Tc 0.05202 0.81887 0.06574 1.00000
Tc5 Tc 0.65394 0.86146 0.57425 1.00000
Tc6 Tc 0.84606 0.42575 0.13854 1.00000
Tc7 Tc 0.34606 0.13854 0.42575 1.00000
Tc8 Tc 0.15394 0.57425 0.86146 1.00000
Ru1 Ru 0.18669 0.70606 0.50950 1.00000
Ru2 Ru 0.31331 0.49050 0.29394 1.00000
Ru3 Ru 0.81331 0.29394 0.49050 1.00000
Ru4 Ru 0.68669 0.50950 0.70606 1.00000
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