Zn5Te
Alexandria ALEXAlex-ID: agm005478520 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_279_spg44
ZnTe Zn
2023-03-22 02:56:04.825565
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005478520).
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 agm005478520
data_agm005478520
_cell_length_a 6.78013
_cell_length_b 6.78013
_cell_length_c 4.94600
_cell_angle_alpha 68.36444
_cell_angle_beta 68.36444
_cell_angle_gamma 37.52593
_cell_volume 127.56343
_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
Zn1 Zn 0.28643 0.28643 0.01821 1.00000
Zn2 Zn 0.65198 0.65198 0.90681 1.00000
Zn3 Zn 0.72162 0.72162 0.33525 1.00000
Zn4 Zn 0.87873 0.87873 0.67456 1.00000
Zn5 Zn 0.28609 0.28609 0.52089 1.00000
Te1 Te 0.00849 0.00849 0.04429 1.00000
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