RbI3
Alexandria ALEXAlex-ID: agm071342817 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_3774_spg62
RbI3
2025-03-09 06:25:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071342817).
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 agm071342817
data_agm071342817
_cell_length_a 6.80197
_cell_length_b 7.20564
_cell_length_c 18.49140
_cell_angle_alpha 89.90205
_cell_angle_beta 93.51531
_cell_angle_gamma 90.14276
_cell_volume 904.60117
_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 0.01194 0.52047 0.41905 1.00000
Rb2 Rb 0.96972 0.55539 0.90972 1.00000
Rb3 Rb 0.48647 0.00953 0.08162 1.00000
Rb4 Rb 0.52782 0.06731 0.58902 1.00000
I1 I 0.60830 0.84078 0.77683 1.00000
I2 I 0.00062 0.02540 0.17075 1.00000
I3 I 0.89841 0.32901 0.72286 1.00000
I4 I 0.49796 0.52706 0.32921 1.00000
I5 I 0.99269 0.06057 0.97179 1.00000
I6 I 0.49746 0.50595 0.00742 1.00000
I7 I 0.00115 0.01791 0.49264 1.00000
I8 I 0.50706 0.57487 0.52841 1.00000
I9 I 0.30686 0.96217 0.86852 1.00000
I10 I 0.19500 0.46765 0.63209 1.00000
I11 I 0.50239 0.51496 0.17403 1.00000
I12 I 0.99616 0.02095 0.32603 1.00000
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