PrTl3(SnTe3)2
Alexandria ALEXAlex-ID: agm004635395 · 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
AB2C3D6_175_spg12
Tl9SnTe6 PrTe3 TlSn4Te5 PrTlTe2
2022-06-29 20:26:54.821869
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635395).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm004635395
data_agm004635395
_cell_length_a 7.88211
_cell_length_b 7.88211
_cell_length_c 8.29072
_cell_angle_alpha 99.16823
_cell_angle_beta 99.16823
_cell_angle_gamma 119.97308
_cell_volume 422.95355
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.16245 0.83755 0.50000 1.00000
Tl2 Tl 0.83755 0.16245 0.50000 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Sn1 Sn 0.33283 0.66717 0.00000 1.00000
Sn2 Sn 0.66717 0.33283 0.00000 1.00000
Te1 Te 0.92545 0.58500 0.77698 1.00000
Te2 Te 0.73217 0.73217 0.21958 1.00000
Te3 Te 0.07455 0.41500 0.22302 1.00000
Te4 Te 0.58500 0.92545 0.77698 1.00000
Te5 Te 0.26783 0.26783 0.78042 1.00000
Te6 Te 0.41500 0.07455 0.22302 1.00000
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