KTb(SnI4)2
Alexandria ALEXAlex-ID: agm018519987 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_162_spg2
K6SnI8 TbI3 SnI2
2024-12-19 05:50:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018519987).
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 agm018519987
data_agm018519987
_cell_length_a 7.80382
_cell_length_b 8.03037
_cell_length_c 9.27572
_cell_angle_alpha 90.09245
_cell_angle_beta 89.61076
_cell_angle_gamma 89.34242
_cell_volume 581.23406
_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
K1 K 0.50000 0.00000 0.50000 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.99971 0.50100 0.25600 1.00000
Sn2 Sn 0.00029 0.49900 0.74400 1.00000
I1 I 0.78011 0.16612 0.76887 1.00000
I2 I 0.77093 0.69251 0.00190 1.00000
I3 I 0.22414 0.82959 0.77106 1.00000
I4 I 0.21989 0.83388 0.23113 1.00000
I5 I 0.22907 0.30749 0.99810 1.00000
I6 I 0.77586 0.17041 0.22894 1.00000
I7 I 0.24201 0.37197 0.49852 1.00000
I8 I 0.75799 0.62803 0.50148 1.00000
Get direct link