LiSiCl3
Alexandria ALEXAlex-ID: agm002159077 · Space group: R3c (#161)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_250_spg9
SiCl4 Si LiCl
2018-07-21 16:47:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002159077).
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 agm002159077
data_agm002159077
_cell_length_a 6.91037
_cell_length_b 6.90833
_cell_length_c 7.70972
_cell_angle_alpha 63.38280
_cell_angle_beta 63.33104
_cell_angle_gamma 60.00974
_cell_volume 272.70808
_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
Si1 Si 0.02342 0.02328 0.93003 1.00000
Si2 Si 0.52342 0.52326 0.43003 1.00000
Li1 Li 0.68505 0.68601 0.94280 1.00000
Li2 Li 0.18505 0.18615 0.44280 1.00000
Cl1 Cl 0.88775 0.97720 0.73757 1.00000
Cl2 Cl 0.97749 0.39757 0.73757 1.00000
Cl3 Cl 0.39779 0.88745 0.73753 1.00000
Cl4 Cl 0.89779 0.47723 0.23753 1.00000
Cl5 Cl 0.38775 0.89749 0.23757 1.00000
Cl6 Cl 0.47749 0.38737 0.23757 1.00000
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