Cd5In3Hg4
Alexandria ALEXAlex-ID: agm005695573 · 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
A3B4C5_41_spg12
Cd4In3 Cd Hg
2023-06-29 14:00:28.374282
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695573).
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 agm005695573
data_agm005695573
_cell_length_a 5.73597
_cell_length_b 6.25644
_cell_length_c 10.08739
_cell_angle_alpha 94.38823
_cell_angle_beta 89.99975
_cell_angle_gamma 117.28442
_cell_volume 320.53348
_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
Cd1 Cd 0.62078 0.24156 0.93212 1.00000
Cd2 Cd 0.50000 0.00000 0.50000 1.00000
Cd3 Cd 0.88194 0.76388 0.91067 1.00000
Cd4 Cd 0.11806 0.23612 0.08933 1.00000
Cd5 Cd 0.37922 0.75844 0.06788 1.00000
In1 In 0.61875 0.23750 0.25059 1.00000
In2 In 0.00000 0.00000 0.50000 1.00000
In3 In 0.38125 0.76250 0.74941 1.00000
Hg1 Hg 0.11681 0.23363 0.77963 1.00000
Hg2 Hg 0.75145 0.50290 0.62840 1.00000
Hg3 Hg 0.24855 0.49710 0.37160 1.00000
Hg4 Hg 0.88319 0.76637 0.22037 1.00000
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