Tl5Sn2Te5
Alexandria ALEXAlex-ID: agm005646902 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_0_spg12
TlSn4Te5 Tl9SnTe6 Tl2SnTe3
2023-06-19 07:55:51.003994
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646902).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005646902
data_agm005646902
_cell_length_a 5.08294
_cell_length_b 8.01542
_cell_length_c 12.87566
_cell_angle_alpha 110.18536
_cell_angle_beta 90.00000
_cell_angle_gamma 108.48600
_cell_volume 463.41417
_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
Tl1 Tl 0.50000 0.00000 0.50000 1.00000
Tl2 Tl 0.65902 0.31805 0.05334 1.00000
Tl3 Tl 0.72503 0.45005 0.34242 1.00000
Tl4 Tl 0.27497 0.54995 0.65758 1.00000
Tl5 Tl 0.34098 0.68195 0.94666 1.00000
Sn1 Sn 0.05218 0.10437 0.79322 1.00000
Sn2 Sn 0.94782 0.89563 0.20678 1.00000
Te1 Te 0.11302 0.22605 0.40713 1.00000
Te2 Te 0.65567 0.31135 0.78876 1.00000
Te3 Te 0.34433 0.68865 0.21124 1.00000
Te4 Te 0.88698 0.77395 0.59287 1.00000
Te5 Te 0.00000 0.00000 0.00000 1.00000
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