Te2Cl
Alexandria ALEXAlex-ID: agm005481697 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_2644_spg12
TeCl4 Te
2023-03-20 14:54:29.549303
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005481697).
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 agm005481697
data_agm005481697
_cell_length_a 7.82632
_cell_length_b 7.82632
_cell_length_c 8.51022
_cell_angle_alpha 58.19844
_cell_angle_beta 58.19844
_cell_angle_gamma 30.21360
_cell_volume 219.78816
_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
Te1 Te 0.72519 0.72519 0.25041 1.00000
Te2 Te 0.49212 0.49212 0.59166 1.00000
Te3 Te 0.98960 0.98960 0.34300 1.00000
Te4 Te 0.30976 0.30976 0.36777 1.00000
Cl1 Cl 0.02200 0.02200 0.78396 1.00000
Cl2 Cl 0.29466 0.29466 0.82986 1.00000
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