RbCdI3
Alexandria ALEXAlex-ID: agm003705441 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1901_spg12
Rb2CdI4 CdI2
2022-04-16 20:42:23.611411
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705441).
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 agm003705441
data_agm003705441
_cell_length_a 5.80133
_cell_length_b 9.32132
_cell_length_c 9.32602
_cell_angle_alpha 73.96339
_cell_angle_beta 88.85889
_cell_angle_gamma 88.85960
_cell_volume 484.53869
_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 0.97506 0.16848 0.60686 1.00000
Rb2 Rb 0.50939 0.73620 0.17515 1.00000
Cd1 Cd 0.74214 0.62902 0.71453 1.00000
Cd2 Cd 0.74284 0.27493 0.06807 1.00000
I1 I 0.49543 0.34863 0.78790 1.00000
I2 I 0.98930 0.55554 0.99469 1.00000
I3 I 0.49282 0.28523 0.32244 1.00000
I4 I 0.49265 0.88383 0.72426 1.00000
I5 I 0.99233 0.02048 0.05742 1.00000
I6 I 0.99144 0.61943 0.45973 1.00000
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