Sn4Te2Br5
Alexandria ALEXAlex-ID: agm005662443 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_694_spg12
SnTe Te SnBr2
2023-06-21 11:18:50.550621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662443).
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 agm005662443
data_agm005662443
_cell_length_a 4.32172
_cell_length_b 12.19371
_cell_length_c 10.03856
_cell_angle_alpha 84.46401
_cell_angle_beta 102.22852
_cell_angle_gamma 90.03331
_cell_volume 514.48792
_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 0.65739 0.61304 0.31783 1.00000
Sn2 Sn 0.00964 0.80533 0.01372 1.00000
Sn3 Sn 0.34261 0.38696 0.68217 1.00000
Sn4 Sn 0.99036 0.19467 0.98629 1.00000
Te1 Te 0.50523 0.63427 0.00651 1.00000
Te2 Te 0.49477 0.36573 0.99349 1.00000
Br1 Br 0.14696 0.80426 0.29533 1.00000
Br2 Br 0.85304 0.19574 0.70467 1.00000
Br3 Br 0.16079 0.45150 0.32485 1.00000
Br4 Br 0.50000 0.00000 0.00000 1.00000
Br5 Br 0.83921 0.54850 0.67515 1.00000
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