LiRe5
Alexandria ALEXAlex-ID: agm005444780 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_2_spg8
Re Li
2023-03-21 11:06:31.026787
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005444780).
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 agm005444780
data_agm005444780
_cell_length_a 5.07128
_cell_length_b 5.07128
_cell_length_c 6.11354
_cell_angle_alpha 72.20225
_cell_angle_beta 72.20225
_cell_angle_gamma 35.56500
_cell_volume 86.60831
_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 0.97239 0.97239 0.05527 1.00000
Re1 Re 0.30015 0.30015 0.38569 1.00000
Re2 Re 0.64436 0.64436 0.72522 1.00000
Re3 Re 0.63726 0.63726 0.21241 1.00000
Re4 Re 0.97213 0.97213 0.55570 1.00000
Re5 Re 0.30704 0.30704 0.89903 1.00000
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