LiRe3Ru5
Alexandria ALEXAlex-ID: agm072630751 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1094_spg42
ReRu ReRu3 Li
2024-09-24 13:33:42.075844
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072630751).
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 agm072630751
data_agm072630751
_cell_length_a 8.14575
_cell_length_b 6.01864
_cell_length_c 6.13329
_cell_angle_alpha 84.17874
_cell_angle_beta 47.31220
_cell_angle_gamma 48.50905
_cell_volume 128.36179
_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
Li1 Li 0.12972 0.12972 0.87028 1.00000
Re1 Re 0.13558 0.47547 0.52453 1.00000
Re2 Re 0.47547 0.13558 0.86442 1.00000
Re3 Re 0.80859 0.80859 0.19141 1.00000
Ru1 Ru 0.46228 0.46228 0.53772 1.00000
Ru2 Ru 0.79730 0.13811 0.86189 1.00000
Ru3 Ru 0.80784 0.46959 0.53041 1.00000
Ru4 Ru 0.13811 0.79730 0.20270 1.00000
Ru5 Ru 0.46959 0.80784 0.19216 1.00000
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