ZnSn2Te
Alexandria ALEXAlex-ID: agm002905511 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_7_spg122
Sn ZnTe
2016-12-18 11:47:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002905511).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm002905511
data_agm002905511
_cell_length_a 6.44113
_cell_length_b 6.44113
_cell_length_c 8.00233
_cell_angle_alpha 66.26838
_cell_angle_beta 66.26838
_cell_angle_gamma 90.00000
_cell_volume 272.98210
_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 0.50000 0.50000 0.00000 1.00000
Zn2 Zn 0.25000 0.75000 0.50000 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.75000 0.25000 0.50000 1.00000
Sn1 Sn 0.57704 0.12500 0.25000 1.00000
Sn2 Sn 0.17296 0.62500 0.25000 1.00000
Sn3 Sn 0.37500 0.42296 0.75000 1.00000
Sn4 Sn 0.87500 0.82704 0.75000 1.00000
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