InHg2Te
Alexandria ALEXAlex-ID: agm005708910 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_141_spg11
Hg InTe
2023-07-12 04:09:31.921532
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708910).
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 agm005708910
data_agm005708910
_cell_length_a 4.50414
_cell_length_b 5.59246
_cell_length_c 9.79503
_cell_angle_alpha 97.74969
_cell_angle_beta 90.00002
_cell_angle_gamma 89.99999
_cell_volume 244.47587
_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
In1 In 0.75000 0.91758 0.80580 1.00000
In2 In 0.25000 0.08242 0.19420 1.00000
Hg1 Hg 0.25000 0.81995 0.43293 1.00000
Hg2 Hg 0.75000 0.18005 0.56707 1.00000
Hg3 Hg 0.25000 0.29943 0.93591 1.00000
Hg4 Hg 0.75000 0.70057 0.06409 1.00000
Te1 Te 0.75000 0.41171 0.30458 1.00000
Te2 Te 0.25000 0.58829 0.69542 1.00000
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