Cs2U(ICl2)2
Alexandria ALEXAlex-ID: agm011574422 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_481_spg12
Cs2UCl6 Cs2U(I2Cl)2
2025-01-17 20:20:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011574422).
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 agm011574422
data_agm011574422
_cell_length_a 8.30075
_cell_length_b 8.30075
_cell_length_c 6.52464
_cell_angle_alpha 89.36680
_cell_angle_beta 90.63320
_cell_angle_gamma 123.52891
_cell_volume 374.73013
_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
Cs1 Cs 0.35274 0.64726 0.76850 1.00000
Cs2 Cs 0.64726 0.35274 0.23150 1.00000
U1 U 0.00000 0.00000 0.50000 1.00000
I1 I 0.81554 0.18446 0.72380 1.00000
I2 I 0.18446 0.81554 0.27620 1.00000
Cl1 Cl 0.82258 0.69477 0.73587 1.00000
Cl2 Cl 0.69477 0.82258 0.26413 1.00000
Cl3 Cl 0.17742 0.30523 0.26413 1.00000
Cl4 Cl 0.30523 0.17742 0.73587 1.00000
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