RbI4
Alexandria ALEXAlex-ID: agm005544541 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_762_spg1
RbI3 I
2023-05-29 06:02:59.823226
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005544541).
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 agm005544541
data_agm005544541
_cell_length_a 6.13006
_cell_length_b 9.53460
_cell_length_c 12.01469
_cell_angle_alpha 96.10287
_cell_angle_beta 120.61184
_cell_angle_gamma 100.83941
_cell_volume 576.37058
_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 0.40432 0.30688 0.70065 1.00000
Rb2 Rb 0.40315 0.30634 0.20106 1.00000
I1 I 0.51381 0.55153 0.50094 1.00000
I2 I 0.75465 0.01692 0.38917 1.00000
I3 I 0.04009 0.55921 0.00335 1.00000
I4 I 0.78398 0.06656 0.65094 1.00000
I5 I 0.78209 0.06602 0.15039 1.00000
I6 I 0.54039 0.55029 0.00628 1.00000
I7 I 0.75409 0.01698 0.88898 1.00000
I8 I 0.02343 0.55931 0.50826 1.00000
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