Rb2Se4I5
Alexandria ALEXAlex-ID: agm003364580 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_595_spg12
RbI3 Se RbI
2022-02-05 15:59:19.391047
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003364580).
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 agm003364580
data_agm003364580
_cell_length_a 9.19809
_cell_length_b 7.68254
_cell_length_c 13.31566
_cell_angle_alpha 95.30662
_cell_angle_beta 69.79462
_cell_angle_gamma 53.22772
_cell_volume 648.87446
_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 0.27705 0.58715 0.85875 1.00000
Rb2 Rb 0.72295 0.41285 0.14125 1.00000
Se1 Se 0.39811 0.05239 0.15139 1.00000
Se2 Se 0.60189 0.94761 0.84861 1.00000
Se3 Se 0.85446 0.55631 0.73476 1.00000
Se4 Se 0.14554 0.44369 0.26524 1.00000
I1 I 0.21955 0.11322 0.85037 1.00000
I2 I 0.78045 0.88678 0.14963 1.00000
I3 I 0.00000 0.50000 0.50000 1.00000
I4 I 0.81686 0.11322 0.85037 1.00000
I5 I 0.18314 0.88678 0.14963 1.00000
Get direct link