Rb4InI5
Alexandria ALEXAlex-ID: agm003655152 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
InI RbI
2022-04-07 21:14:41.934205
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003655152).
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 agm003655152
data_agm003655152
_cell_length_a 7.40778
_cell_length_b 9.05865
_cell_length_c 9.05865
_cell_angle_alpha 80.37600
_cell_angle_beta 65.86559
_cell_angle_gamma 65.86559
_cell_volume 506.25082
_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 0.40508 0.39747 0.79953 1.00000
Rb2 Rb 0.80255 0.79953 0.60253 1.00000
Rb3 Rb 0.20461 0.20047 0.39747 1.00000
Rb4 Rb 0.60208 0.60253 0.20047 1.00000
In1 In 0.01138 0.00000 0.00000 1.00000
I1 I 0.90714 0.38826 0.80437 1.00000
I2 I 0.29540 0.80437 0.61174 1.00000
I3 I 0.71151 0.19563 0.38826 1.00000
I4 I 0.09977 0.61174 0.19563 1.00000
I5 I 0.47079 1.00000 1.00000 1.00000
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