In5Hg6Sb
Alexandria ALEXAlex-ID: agm006113300 · 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
AB5C6_57_spg12
In Hg InSb
2023-08-28 12:30:51.537042
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113300).
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 agm006113300
data_agm006113300
_cell_length_a 6.77194
_cell_length_b 7.11941
_cell_length_c 7.11937
_cell_angle_alpha 102.20222
_cell_angle_beta 98.16159
_cell_angle_gamma 98.16219
_cell_volume 326.79986
_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
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.25471 0.08938 0.42051 1.00000
Hg2 Hg 0.74529 0.57949 0.91062 1.00000
Hg3 Hg 0.76549 0.26116 0.26116 1.00000
Hg4 Hg 0.23451 0.73884 0.73884 1.00000
Hg5 Hg 0.25471 0.42051 0.08938 1.00000
Hg6 Hg 0.74529 0.91062 0.57949 1.00000
In1 In 0.50000 0.15859 0.84141 1.00000
In2 In 0.00000 0.32131 0.67869 1.00000
In3 In 0.50000 0.50000 0.50000 1.00000
In4 In 1.00000 0.67869 0.32131 1.00000
In5 In 0.50000 0.84141 0.15859 1.00000
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