Rb2CrI5
Alexandria ALEXAlex-ID: agm006007771 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_449_spg8
CrI3 RbI
2023-08-24 15:30:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006007771).
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 agm006007771
data_agm006007771
_cell_length_a 7.89373
_cell_length_b 8.53872
_cell_length_c 8.54181
_cell_angle_alpha 90.02208
_cell_angle_beta 122.49279
_cell_angle_gamma 122.47432
_cell_volume 374.41401
_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 0.54714 0.73115 0.24137 1.00000
Rb2 Rb 0.54697 0.24119 0.73134 1.00000
Cr1 Cr 0.11654 0.02411 0.02405 1.00000
I1 I 0.04190 0.76262 0.20796 1.00000
I2 I 0.02476 0.20007 0.20012 1.00000
I3 I 0.06063 0.77267 0.77255 1.00000
I4 I 0.04176 0.20789 0.76238 1.00000
I5 I 0.62031 0.28329 0.28324 1.00000
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