UCdCl6
Alexandria ALEXAlex-ID: agm005789752 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_8_spg148
UCl4 CdCl2
2023-07-24 17:38:22.267963
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005789752).
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 agm005789752
data_agm005789752
_cell_length_a 6.67575
_cell_length_b 6.67362
_cell_length_c 7.23661
_cell_angle_alpha 62.53186
_cell_angle_beta 62.50855
_cell_angle_gamma 59.94582
_cell_volume 236.16997
_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
U1 U 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
Cl1 Cl 0.09820 0.39626 0.75104 1.00000
Cl2 Cl 0.75475 0.09792 0.75096 1.00000
Cl3 Cl 0.60325 0.24488 0.25006 1.00000
Cl4 Cl 0.24525 0.90208 0.24904 1.00000
Cl5 Cl 0.90180 0.60374 0.24896 1.00000
Cl6 Cl 0.39675 0.75512 0.74994 1.00000
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