RbICl6
Alexandria ALEXAlex-ID: agm015437548 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_561_spg15
RbICl6
2024-12-17 03:12:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015437548).
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 agm015437548
data_agm015437548
_cell_length_a 7.17900
_cell_length_b 7.17900
_cell_length_c 11.49012
_cell_angle_alpha 88.72769
_cell_angle_beta 91.27231
_cell_angle_gamma 94.40039
_cell_volume 590.16217
_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 0.98235 0.98235 0.25000 1.00000
Rb2 Rb 0.01765 0.01765 0.75000 1.00000
I1 I 0.00000 0.50000 0.50000 1.00000
I2 I 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.72666 0.68033 0.44540 1.00000
Cl2 Cl 0.27334 0.31967 0.55460 1.00000
Cl3 Cl 0.68033 0.72666 0.05460 1.00000
Cl4 Cl 0.31967 0.27334 0.94540 1.00000
Cl5 Cl 0.07163 0.47602 0.28821 1.00000
Cl6 Cl 0.92837 0.52398 0.71179 1.00000
Cl7 Cl 0.47602 0.07163 0.21179 1.00000
Cl8 Cl 0.52398 0.92837 0.78821 1.00000
Cl9 Cl 0.80298 0.20091 0.99311 1.00000
Cl10 Cl 0.19702 0.79909 0.00689 1.00000
Cl11 Cl 0.20091 0.80298 0.50689 1.00000
Cl12 Cl 0.79909 0.19702 0.49311 1.00000
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