RbH5I3
Alexandria ALEXAlex-ID: agm072713402 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1370_spg1
Rb(H2I)3 RbI3
2024-09-24 12:01:29.584872
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072713402).
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 agm072713402
data_agm072713402
_cell_length_a 5.15124
_cell_length_b 6.19208
_cell_length_c 7.64848
_cell_angle_alpha 94.01127
_cell_angle_beta 91.12975
_cell_angle_gamma 89.92097
_cell_volume 243.31816
_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 0.99960 0.97737 0.02549 1.00000
H1 H 0.49961 0.62654 0.83275 1.00000
H2 H 0.93565 0.29998 0.67456 1.00000
H3 H 0.06757 0.67525 0.36122 1.00000
H4 H 0.92886 0.64900 0.33508 1.00000
H5 H 0.06774 0.32677 0.71410 1.00000
I1 I 0.49737 0.83288 0.66397 1.00000
I2 I 0.49888 0.46064 0.03758 1.00000
I3 I 0.50470 0.15155 0.35526 1.00000
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