LiReSi2
Alexandria ALEXAlex-ID: agm005688982 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7718_spg13
Li13Si4 Re2Si Re4Si7
2023-07-12 05:55:22.197182
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688982).
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 agm005688982
data_agm005688982
_cell_length_a 5.06986
_cell_length_b 4.60959
_cell_length_c 9.79620
_cell_angle_alpha 90.00012
_cell_angle_beta 104.73494
_cell_angle_gamma 90.00031
_cell_volume 221.40772
_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 0.84887 0.68680 0.64246 1.00000
Li2 Li 0.15113 0.31320 0.35754 1.00000
Li3 Li 0.65113 0.68680 0.85754 1.00000
Li4 Li 0.34887 0.31320 0.14246 1.00000
Re1 Re 0.44692 0.83478 0.36373 1.00000
Re2 Re 0.55308 0.16522 0.63627 1.00000
Re3 Re 0.05308 0.83477 0.13627 1.00000
Re4 Re 0.94692 0.16523 0.86373 1.00000
Si1 Si 0.82735 0.32970 0.08704 1.00000
Si2 Si 0.17265 0.67030 0.91296 1.00000
Si3 Si 0.67265 0.32971 0.41296 1.00000
Si4 Si 0.32735 0.67029 0.58704 1.00000
Si5 Si 0.43593 0.20280 0.87300 1.00000
Si6 Si 0.56407 0.79720 0.12700 1.00000
Si7 Si 0.06406 0.20280 0.62699 1.00000
Si8 Si 0.93594 0.79720 0.37301 1.00000
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