Cd4TeO5
Alexandria ALEXAlex-ID: agm003658898 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_149_spg79
Cd3TeO6 CdTe CdO
2022-04-07 16:21:32.834754
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003658898).
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 agm003658898
data_agm003658898
_cell_length_a 4.13425
_cell_length_b 6.44565
_cell_length_c 6.44565
_cell_angle_alpha 84.09674
_cell_angle_beta 71.29467
_cell_angle_gamma 71.29467
_cell_volume 154.09761
_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 0.38109 0.46885 0.77152 1.00000
Cd2 Cd 0.84994 0.77152 0.53115 1.00000
Cd3 Cd 0.15261 0.22848 0.46885 1.00000
Cd4 Cd 0.62146 0.53115 0.22848 1.00000
Te1 Te 0.00119 0.00000 1.00000 1.00000
O1 O 0.88505 0.34122 0.89126 1.00000
O2 O 0.22627 0.89126 0.65878 1.00000
O3 O 0.77630 0.10874 0.34122 1.00000
O4 O 0.11753 0.65878 0.10874 1.00000
O5 O 0.49887 0.00000 1.00000 1.00000
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