Rb(InI3)2
Alexandria ALEXAlex-ID: agm003496551 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_999_spg12
RbInI4 InI2
2022-03-10 15:04:09.107364
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003496551).
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 agm003496551
data_agm003496551
_cell_length_a 6.43487
_cell_length_b 8.68197
_cell_length_c 10.35416
_cell_angle_alpha 103.78055
_cell_angle_beta 90.00000
_cell_angle_gamma 111.75190
_cell_volume 519.30132
_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
In1 In 0.75090 0.50181 0.84442 1.00000
In2 In 0.24910 0.49819 0.15558 1.00000
I1 I 0.91341 0.82681 0.79962 1.00000
I2 I 0.76413 0.52827 0.13736 1.00000
I3 I 0.23587 0.47173 0.86264 1.00000
I4 I 0.59532 0.19063 0.63623 1.00000
I5 I 0.40468 0.80937 0.36377 1.00000
I6 I 0.08659 0.17319 0.20038 1.00000
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