Rb2LiAlI6
Alexandria ALEXAlex-ID: agm004965366 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_442_spg164
RbAlI4 LiI RbI
2022-07-25 11:20:11.877064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004965366).
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 agm004965366
data_agm004965366
_cell_length_a 7.13927
_cell_length_b 8.18756
_cell_length_c 8.18756
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 414.47035
_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 0.19219 0.33333 0.66667 1.00000
Rb2 Rb 0.80781 0.66667 0.33333 1.00000
Li1 Li 0.50000 0.00000 0.00000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
I1 I 0.77037 0.15939 0.31879 1.00000
I2 I 0.77037 0.15939 0.84061 1.00000
I3 I 0.77037 0.68121 0.84061 1.00000
I4 I 0.22963 0.84061 0.15939 1.00000
I5 I 0.22963 0.31879 0.15939 1.00000
I6 I 0.22963 0.84061 0.68121 1.00000
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