Hg2TeI8
Alexandria ALEXAlex-ID: agm003522158 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_146_spg12
TeI4 HgI2
2022-03-18 10:11:08.105570
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003522158).
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 agm003522158
data_agm003522158
_cell_length_a 7.34273
_cell_length_b 9.20429
_cell_length_c 9.20429
_cell_angle_alpha 60.74088
_cell_angle_beta 87.18517
_cell_angle_gamma 87.18517
_cell_volume 541.82375
_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
Hg1 Hg 0.58030 0.17445 0.17445 1.00000
Hg2 Hg 0.41970 0.82555 0.82555 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
I1 I 0.25191 0.15875 0.69863 1.00000
I2 I 0.25191 0.69863 0.15875 1.00000
I3 I 0.74809 0.84125 0.30137 1.00000
I4 I 0.38435 0.65560 0.65560 1.00000
I5 I 0.74809 0.30137 0.84125 1.00000
I6 I 0.18198 0.16434 0.16434 1.00000
I7 I 0.81802 0.83566 0.83566 1.00000
I8 I 0.61565 0.34440 0.34440 1.00000
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