Rb2Ce(I2Br)2
Alexandria ALEXAlex-ID: agm024652998 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_496_spg2
Rb2CeI6 Rb2CeBr6
2024-12-02 23:17:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024652998).
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 agm024652998
data_agm024652998
_cell_length_a 8.11836
_cell_length_b 8.28570
_cell_length_c 8.30425
_cell_angle_alpha 90.60198
_cell_angle_beta 117.25264
_cell_angle_gamma 117.38972
_cell_volume 423.26002
_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 0.97420 0.23830 0.21049 1.00000
Rb2 Rb 0.02580 0.76170 0.78951 1.00000
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
I1 I 0.97243 0.76849 0.30918 1.00000
I2 I 0.46464 0.20630 0.21943 1.00000
I3 I 0.02757 0.23151 0.69082 1.00000
I4 I 0.53536 0.79370 0.78057 1.00000
Br1 Br 0.63745 0.34869 0.82124 1.00000
Br2 Br 0.36255 0.65131 0.17876 1.00000
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