K(LaI3)2
Alexandria ALEXAlex-ID: agm005664510 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_776_spg12
K2LaI5 La2I5 LaI2
2023-07-08 09:01:25.710753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005664510).
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 agm005664510
data_agm005664510
_cell_length_a 7.57392
_cell_length_b 10.74696
_cell_length_c 10.74696
_cell_angle_alpha 62.69309
_cell_angle_beta 77.15333
_cell_angle_gamma 77.15332
_cell_volume 750.47960
_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
K1 K 0.25000 0.25797 0.74203 1.00000
K2 K 0.75000 0.74203 0.25797 1.00000
La1 La 0.99714 0.75213 0.74905 1.00000
La2 La 0.50286 0.25095 0.24787 1.00000
La3 La 0.00286 0.24787 0.25095 1.00000
La4 La 0.49714 0.74905 0.75213 1.00000
I1 I 0.33689 0.67746 0.53919 1.00000
I2 I 0.16311 0.46081 0.32254 1.00000
I3 I 0.66311 0.32254 0.46081 1.00000
I4 I 0.83689 0.53919 0.67746 1.00000
I5 I 0.78309 0.94572 0.44527 1.00000
I6 I 0.71691 0.55473 0.05428 1.00000
I7 I 0.21691 0.05428 0.55473 1.00000
I8 I 0.28309 0.44527 0.94572 1.00000
I9 I 0.15686 0.82227 0.96203 1.00000
I10 I 0.34314 0.03797 0.17773 1.00000
I11 I 0.84314 0.17773 0.03797 1.00000
I12 I 0.65686 0.96203 0.82227 1.00000
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