Rb2Sn4I9
Alexandria ALEXAlex-ID: agm005641871 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_138_spg15
RbSnI3 SnI2 Sn
2023-06-16 23:58:46.405148
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641871).
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 agm005641871
data_agm005641871
_cell_length_a 8.37171
_cell_length_b 8.40473
_cell_length_c 24.44769
_cell_angle_alpha 91.49480
_cell_angle_beta 88.07584
_cell_angle_gamma 58.94161
_cell_volume 1470.85841
_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 0.99758 0.99931 0.34560 1.00000
Rb2 Rb 0.96860 0.02675 0.14891 1.00000
Rb3 Rb 0.00242 0.00069 0.65440 1.00000
Rb4 Rb 0.03140 0.97325 0.85109 1.00000
Sn1 Sn 0.33785 0.33398 0.00016 1.00000
Sn2 Sn 0.32666 0.32766 0.49780 1.00000
Sn3 Sn 0.66215 0.66602 0.99984 1.00000
Sn4 Sn 0.27977 0.36267 0.18178 1.00000
Sn5 Sn 0.67334 0.67234 0.50220 1.00000
Sn6 Sn 0.61853 0.64345 0.32391 1.00000
Sn7 Sn 0.38147 0.35655 0.67609 1.00000
Sn8 Sn 0.72023 0.63733 0.81822 1.00000
I1 I 0.05119 0.31762 0.75543 1.00000
I2 I 0.39903 0.65697 0.74409 1.00000
I3 I 0.69975 0.95089 0.75962 1.00000
I4 I 0.94881 0.68238 0.24457 1.00000
I5 I 0.60097 0.34303 0.25591 1.00000
I6 I 0.30025 0.04911 0.24038 1.00000
I7 I 0.62396 0.96426 0.41752 1.00000
I8 I 0.00865 0.36843 0.42611 1.00000
I9 I 0.37904 0.62145 0.42058 1.00000
I10 I 0.59525 0.02553 0.07710 1.00000
I11 I 0.36735 0.62187 0.07739 1.00000
I12 I 0.00103 0.39605 0.08148 1.00000
I13 I 0.37604 0.03574 0.58248 1.00000
I14 I 0.99135 0.63157 0.57389 1.00000
I15 I 0.62096 0.37855 0.57942 1.00000
I16 I 0.40475 0.97447 0.92290 1.00000
I17 I 0.63265 0.37813 0.92261 1.00000
I18 I 0.99897 0.60395 0.91852 1.00000
