Cd4InTe4As
Alexandria ALEXAlex-ID: agm005506170 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4D4_5_spg139
InAs CdTe
2023-03-20 22:19:11.034947
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506170).
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 agm005506170
data_agm005506170
_cell_length_a 15.56448
_cell_length_b 15.56448
_cell_length_c 15.56448
_cell_angle_alpha 164.26240
_cell_angle_beta 164.26240
_cell_angle_gamma 22.32743
_cell_volume 277.33645
_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
Cd1 Cd 0.90738 0.90738 0.00000 1.00000
Cd2 Cd 0.29747 0.29747 0.00000 1.00000
Cd3 Cd 0.70253 0.70253 0.00000 1.00000
Cd4 Cd 0.09262 0.09262 0.00000 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.80187 0.80187 0.00000 1.00000
Te2 Te 0.19813 0.19813 0.00000 1.00000
Te3 Te 0.60099 0.60099 0.00000 1.00000
Te4 Te 0.39901 0.39901 0.00000 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
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