Li(HgPd)2
Alexandria ALEXAlex-ID: agm003388872 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1329_spg15
Hg2Pd LiHgPd LiHg5Pd6
2022-02-11 02:55:00.465763
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003388872).
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 agm003388872
data_agm003388872
_cell_length_a 5.59093
_cell_length_b 5.59093
_cell_length_c 7.37739
_cell_angle_alpha 70.24091
_cell_angle_beta 70.24091
_cell_angle_gamma 54.92958
_cell_volume 174.50230
_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
Li1 Li 0.29848 0.70152 0.25000 1.00000
Li2 Li 0.70152 0.29848 0.75000 1.00000
Hg1 Hg 0.46835 0.17437 0.14253 1.00000
Hg2 Hg 0.82563 0.53165 0.35747 1.00000
Hg3 Hg 0.53165 0.82563 0.85747 1.00000
Hg4 Hg 0.17437 0.46835 0.64253 1.00000
Pd1 Pd 0.74472 0.04332 0.45779 1.00000
Pd2 Pd 0.95668 0.25528 0.04221 1.00000
Pd3 Pd 0.25528 0.95668 0.54221 1.00000
Pd4 Pd 0.04332 0.74472 0.95779 1.00000
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