La(AlI4)2
Alexandria ALEXAlex-ID: agm003523906 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_39_spg12
La(AlI4)3 LaI3 Al
2022-03-13 17:14:30.712471
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523906).
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 agm003523906
data_agm003523906
_cell_length_a 7.41487
_cell_length_b 9.12710
_cell_length_c 9.12710
_cell_angle_alpha 73.05797
_cell_angle_beta 82.82221
_cell_angle_gamma 82.82221
_cell_volume 583.69358
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.65346 0.80361 0.80361 1.00000
Al2 Al 0.34654 0.19639 0.19639 1.00000
I1 I 0.23774 0.28911 0.91630 1.00000
I2 I 0.76226 0.08370 0.71089 1.00000
I3 I 0.29053 0.81162 0.81162 1.00000
I4 I 0.70947 0.18838 0.18838 1.00000
I5 I 0.23774 0.91630 0.28911 1.00000
I6 I 0.76226 0.71089 0.08370 1.00000
I7 I 0.79484 0.63504 0.63504 1.00000
I8 I 0.20516 0.36496 0.36496 1.00000
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