KLiCd2Hg5
Alexandria ALEXAlex-ID: agm005178196 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_208_spg71
LiCd3 K2Hg7 Li3CdHg4 Hg
2023-01-09 12:39:35.921631
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178196).
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 agm005178196
data_agm005178196
_cell_length_a 5.27513
_cell_length_b 6.69241
_cell_length_c 8.64750
_cell_angle_alpha 112.76525
_cell_angle_beta 107.75869
_cell_angle_gamma 90.00000
_cell_volume 265.65689
_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
K1 K 0.00000 0.50000 0.00000 1.00000
Li1 Li 0.50000 0.00000 0.00000 1.00000
Cd1 Cd 0.19104 0.19104 0.38207 1.00000
Cd2 Cd 0.80896 0.80896 0.61793 1.00000
Hg1 Hg 0.64378 0.88621 0.28755 1.00000
Hg2 Hg 0.35622 0.11379 0.71245 1.00000
Hg3 Hg 0.35622 0.59866 0.71245 1.00000
Hg4 Hg 0.64378 0.40134 0.28755 1.00000
Hg5 Hg 0.00000 0.00000 0.00000 1.00000
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