Cd2(InHg)3
Alexandria ALEXAlex-ID: agm008948962 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_1478_spg71
Cd4In3 CdIn6 Hg
2024-05-09 13:21:01.895838
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008948962).
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 agm008948962
data_agm008948962
_cell_length_a 4.66008
_cell_length_b 4.63905
_cell_length_c 9.74169
_cell_angle_alpha 92.12633
_cell_angle_beta 86.49591
_cell_angle_gamma 80.92214
_cell_volume 207.33894
_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 0.75155 0.25127 0.49996 1.00000
Cd2 Cd 0.24845 0.74873 0.50004 1.00000
In1 In 0.30935 0.20423 0.26228 1.00000
In2 In 0.69065 0.79577 0.73772 1.00000
In3 In 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.80363 0.70168 0.26838 1.00000
Hg2 Hg 0.50000 0.50000 0.00000 1.00000
Hg3 Hg 0.19637 0.29832 0.73162 1.00000
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