Li(LaI3)2
Alexandria ALEXAlex-ID: agm005757873 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1518_spg12
La2I5 LiI
2023-07-12 22:02:42.731196
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757873).
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 agm005757873
data_agm005757873
_cell_length_a 4.13223
_cell_length_b 8.50454
_cell_length_c 11.97643
_cell_angle_alpha 78.39395
_cell_angle_beta 80.06591
_cell_angle_gamma 75.93970
_cell_volume 396.52737
_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
Li1 Li 0.00000 0.00000 0.00000 1.00000
La1 La 0.31975 0.06072 0.29978 1.00000
La2 La 0.68025 0.93928 0.70022 1.00000
I1 I 0.80341 0.27532 0.11786 1.00000
I2 I 0.19659 0.72468 0.88214 1.00000
I3 I 0.34479 0.77486 0.53556 1.00000
I4 I 0.99135 0.79452 0.22278 1.00000
I5 I 0.00865 0.20548 0.77722 1.00000
I6 I 0.65521 0.22514 0.46444 1.00000
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