TeH2I3
Alexandria ALEXAlex-ID: agm005626041 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1811_spg15
TeI4 H6I TeI
2023-07-10 00:08:51.007831
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005626041).
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 agm005626041
data_agm005626041
_cell_length_a 11.70241
_cell_length_b 11.70198
_cell_length_c 5.82015
_cell_angle_alpha 47.09940
_cell_angle_beta 47.10205
_cell_angle_gamma 65.78748
_cell_volume 425.59543
_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 0.86405 0.13596 0.74998 1.00000
Te2 Te 0.13595 0.86404 0.25002 1.00000
H1 H 0.14800 0.69335 0.32584 1.00000
H2 H 0.69332 0.14802 0.82587 1.00000
H3 H 0.30668 0.85198 0.17413 1.00000
H4 H 0.85200 0.30665 0.67416 1.00000
I1 I 0.47880 0.52120 0.25001 1.00000
I2 I 0.52120 0.47880 0.74999 1.00000
I3 I 0.97843 0.67042 0.09566 1.00000
I4 I 0.32957 0.02156 0.40436 1.00000
I5 I 0.67043 0.97844 0.59564 1.00000
I6 I 0.02157 0.32958 0.90434 1.00000
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