RbTm(SnI4)2
Alexandria ALEXAlex-ID: agm019258014 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_163_spg2
RbTmSnI6 SnI2
2025-01-21 20:20:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019258014).
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 agm019258014
data_agm019258014
_cell_length_a 7.98894
_cell_length_b 8.18809
_cell_length_c 9.28780
_cell_angle_alpha 90.09615
_cell_angle_beta 90.03375
_cell_angle_gamma 89.82745
_cell_volume 607.54964
_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 0.00000 0.50000 0.50000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.50029 0.00146 0.74428 1.00000
Sn2 Sn 0.49971 0.99854 0.25572 1.00000
I1 I 0.83710 0.20558 0.22905 1.00000
I2 I 0.30516 0.21731 0.00120 1.00000
I3 I 0.16426 0.78878 0.22424 1.00000
I4 I 0.16290 0.79442 0.77095 1.00000
I5 I 0.69484 0.78269 0.99880 1.00000
I6 I 0.83574 0.21122 0.77576 1.00000
I7 I 0.61881 0.76554 0.50062 1.00000
I8 I 0.38119 0.23446 0.49938 1.00000
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