Cd5(GaHg2)2
Alexandria ALEXAlex-ID: agm005654071 · 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
A2B4C5_788_spg12
Cd Ga Hg
2023-06-21 15:03:03.125375
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654071).
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 agm005654071
data_agm005654071
_cell_length_a 3.01822
_cell_length_b 12.81367
_cell_length_c 7.10947
_cell_angle_alpha 93.53343
_cell_angle_beta 102.25545
_cell_angle_gamma 90.00026
_cell_volume 268.15390
_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 0.84330 0.53318 0.68660 1.00000
Cd2 Cd 0.15670 0.46682 0.31340 1.00000
Cd3 Cd 0.82177 0.07376 0.64355 1.00000
Cd4 Cd 0.50000 0.00000 0.00000 1.00000
Cd5 Cd 0.17823 0.92624 0.35645 1.00000
Ga1 Ga 0.47678 0.38130 0.95355 1.00000
Ga2 Ga 0.52322 0.61870 0.04645 1.00000
Hg1 Hg 0.28425 0.27788 0.56850 1.00000
Hg2 Hg 0.93833 0.79323 0.87666 1.00000
Hg3 Hg 0.71575 0.72212 0.43150 1.00000
Hg4 Hg 0.06167 0.20677 0.12334 1.00000
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