LiUI5
Alexandria ALEXAlex-ID: agm005755057 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_258_spg15
Li2UI6 UI4
2023-07-14 09:44:24.971764
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755057).
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 agm005755057
data_agm005755057
_cell_length_a 8.19495
_cell_length_b 8.19495
_cell_length_c 11.58266
_cell_angle_alpha 110.03224
_cell_angle_beta 110.03225
_cell_angle_gamma 88.20435
_cell_volume 683.31803
_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 0.87538 0.62462 0.25000 1.00000
Li2 Li 0.12462 0.37538 0.75000 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
U2 U 0.50000 0.50000 0.50000 1.00000
I1 I 0.82449 0.91015 0.16057 1.00000
I2 I 0.82829 0.32369 0.52915 1.00000
I3 I 0.41015 0.32449 0.66057 1.00000
I4 I 0.32131 0.17869 0.25000 1.00000
I5 I 0.17631 0.67171 0.97085 1.00000
I6 I 0.82369 0.32829 0.02915 1.00000
I7 I 0.67869 0.82131 0.75000 1.00000
I8 I 0.58985 0.67551 0.33943 1.00000
I9 I 0.17171 0.67631 0.47085 1.00000
I10 I 0.17551 0.08985 0.83943 1.00000
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