RbU(CuBr4)2
Alexandria ALEXAlex-ID: agm004875498 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_293_spg12
UCuBr6 RbCuBr2
2022-12-21 05:00:35.905317
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875498).
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 agm004875498
data_agm004875498
_cell_length_a 6.78491
_cell_length_b 6.78491
_cell_length_c 10.33885
_cell_angle_alpha 87.04005
_cell_angle_beta 87.04005
_cell_angle_gamma 69.40879
_cell_volume 444.66249
_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
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.64918 0.64918 0.22148 1.00000
Cu2 Cu 0.35082 0.35082 0.77852 1.00000
Br1 Br 0.75305 0.24957 0.81089 1.00000
Br2 Br 0.75378 0.75378 0.01005 1.00000
Br3 Br 0.69382 0.69382 0.43517 1.00000
Br4 Br 0.30618 0.30618 0.56483 1.00000
Br5 Br 0.24622 0.24622 0.98995 1.00000
Br6 Br 0.24957 0.75305 0.81089 1.00000
Br7 Br 0.75043 0.24695 0.18911 1.00000
Br8 Br 0.24695 0.75043 0.18911 1.00000
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