Rb(CdIn)3
Alexandria ALEXAlex-ID: agm003548314 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_285_spg166
RbCd11 CdIn6 RbIn4
2022-04-04 04:54:42.306669
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003548314).
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 agm003548314
data_agm003548314
_cell_length_a 8.64950
_cell_length_b 8.64950
_cell_length_c 8.17350
_cell_angle_alpha 58.05409
_cell_angle_beta 58.05409
_cell_angle_gamma 60.00000
_cell_volume 419.23236
_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 0.37476 0.37476 0.87571 1.00000
Rb2 Rb 0.62524 0.62524 0.12429 1.00000
Cd1 Cd 0.06287 0.68993 0.18438 1.00000
Cd2 Cd 0.06282 0.06287 0.18438 1.00000
Cd3 Cd 0.68993 0.06282 0.18438 1.00000
Cd4 Cd 0.31007 0.93718 0.81562 1.00000
Cd5 Cd 0.93718 0.93713 0.81562 1.00000
Cd6 Cd 0.93713 0.31007 0.81562 1.00000
In1 In 0.68116 0.68119 0.57635 1.00000
In2 In 0.68119 0.06130 0.57635 1.00000
In3 In 0.06130 0.68116 0.57635 1.00000
In4 In 0.93870 0.31884 0.42365 1.00000
In5 In 0.31881 0.93870 0.42365 1.00000
In6 In 0.31884 0.31881 0.42365 1.00000
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