Sn4Te2I5
Alexandria ALEXAlex-ID: agm005681640 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_694_spg12
SnTe Te SnI2
2023-06-24 08:40:10.973224
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681640).
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 agm005681640
data_agm005681640
_cell_length_a 4.42495
_cell_length_b 12.39584
_cell_length_c 10.44391
_cell_angle_alpha 86.27361
_cell_angle_beta 102.19074
_cell_angle_gamma 90.00020
_cell_volume 558.70106
_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
Sn1 Sn 0.66323 0.60109 0.32381 1.00000
Sn2 Sn 0.02256 0.79378 0.03964 1.00000
Sn3 Sn 0.33677 0.39891 0.67619 1.00000
Sn4 Sn 0.97744 0.20622 0.96036 1.00000
Te1 Te 0.51389 0.62982 0.02324 1.00000
Te2 Te 0.48611 0.37018 0.97676 1.00000
I1 I 0.16765 0.80034 0.33227 1.00000
I2 I 0.83235 0.19966 0.66773 1.00000
I3 I 0.16491 0.42197 0.32780 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.83509 0.57803 0.67220 1.00000
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