HfHgTe
Alexandria ALEXAlex-ID: agm005702373 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_185_spg129
Hf3Te4 Hf3Te2 Hg
2023-06-19 13:40:01.415760
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702373).
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 agm005702373
data_agm005702373
_cell_length_a 3.70424
_cell_length_b 3.70427
_cell_length_c 12.18999
_cell_angle_alpha 90.00985
_cell_angle_beta 90.00444
_cell_angle_gamma 90.00916
_cell_volume 167.26518
_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
Hf1 Hf 0.56217 0.19635 0.23264 1.00000
Hf2 Hf 0.06225 0.69648 0.37033 1.00000
Hg1 Hg 0.06266 0.69687 0.70644 1.00000
Hg2 Hg 0.56188 0.19585 0.89654 1.00000
Te1 Te 0.06214 0.69633 0.11790 1.00000
Te2 Te 0.56226 0.19657 0.48509 1.00000
获取直接链接