Rb2LiCl3
Alexandria ALEXAlex-ID: agm005625152 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_227_spg62
LiCl RbCl
2023-08-22 10:33:48.918876
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005625152).
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 agm005625152
data_agm005625152
_cell_length_a 4.44077
_cell_length_b 9.28065
_cell_length_c 17.86153
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 736.13092
_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
Rb1 Rb 0.25000 0.25546 0.95219 1.00000
Rb2 Rb 0.75000 0.74454 0.04781 1.00000
Rb3 Rb 0.75000 0.24454 0.45219 1.00000
Rb4 Rb 0.25000 0.75546 0.54781 1.00000
Rb5 Rb 0.75000 0.08313 0.71283 1.00000
Rb6 Rb 0.25000 0.91687 0.28717 1.00000
Rb7 Rb 0.25000 0.41687 0.21283 1.00000
Rb8 Rb 0.75000 0.58313 0.78717 1.00000
Li1 Li 0.25000 0.36806 0.63325 1.00000
Li2 Li 0.75000 0.63194 0.36675 1.00000
Li3 Li 0.75000 0.13194 0.13325 1.00000
Li4 Li 0.25000 0.86806 0.86675 1.00000
Cl1 Cl 0.25000 0.32473 0.76551 1.00000
Cl2 Cl 0.75000 0.67527 0.23449 1.00000
Cl3 Cl 0.75000 0.17527 0.26551 1.00000
Cl4 Cl 0.25000 0.82473 0.73449 1.00000
Cl5 Cl 0.75000 0.98422 0.89666 1.00000
Cl6 Cl 0.25000 0.01578 0.10334 1.00000
Cl7 Cl 0.25000 0.51578 0.39666 1.00000
Cl8 Cl 0.75000 0.48422 0.60334 1.00000
Cl9 Cl 0.25000 0.13862 0.57372 1.00000
Cl10 Cl 0.75000 0.86138 0.42628 1.00000
Cl11 Cl 0.75000 0.36138 0.07372 1.00000
Cl12 Cl 0.25000 0.63862 0.92628 1.00000
