RbSeI4
Alexandria ALEXAlex-ID: agm003735331 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1246_spg11
SeI3 RbI3 Se
2022-04-19 01:26:01.583609
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003735331).
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 agm003735331
data_agm003735331
_cell_length_a 7.65448
_cell_length_b 9.88661
_cell_length_c 11.58671
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 130.10471
_cell_volume 670.67195
_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 0.98787 0.69238 0.75000 1.00000
Rb2 Rb 0.01213 0.30762 0.25000 1.00000
Se1 Se 0.99127 0.14277 0.75000 1.00000
Se2 Se 0.00873 0.85723 0.25000 1.00000
I1 I 0.59261 0.80531 0.75000 1.00000
I2 I 0.40739 0.19469 0.25000 1.00000
I3 I 0.38859 0.20051 0.75000 1.00000
I4 I 0.61141 0.79949 0.25000 1.00000
I5 I 0.00431 0.63035 0.07468 1.00000
I6 I 0.99569 0.36965 0.57468 1.00000
I7 I 0.00431 0.63035 0.42532 1.00000
I8 I 0.99569 0.36965 0.92532 1.00000
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