La2Pr3Hg5
Alexandria ALEXAlex-ID: agm042668898 · 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
A2B3C5_230_spg12
LaPr3Hg4 LaPrHg2
2024-12-19 05:40:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042668898).
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 agm042668898
data_agm042668898
_cell_length_a 8.68886
_cell_length_b 8.68886
_cell_length_c 6.72119
_cell_angle_alpha 75.03705
_cell_angle_beta 104.96295
_cell_angle_gamma 143.15301
_cell_volume 292.80770
_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
La1 La 0.89933 0.10067 0.60054 1.00000
La2 La 0.10067 0.89933 0.39946 1.00000
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.30119 0.69881 0.19875 1.00000
Pr3 Pr 0.69881 0.30119 0.80125 1.00000
Hg1 Hg 0.50000 0.50000 0.50000 1.00000
Hg2 Hg 0.10076 0.89924 0.90099 1.00000
Hg3 Hg 0.89924 0.10076 0.09901 1.00000
Hg4 Hg 0.70010 0.29990 0.29869 1.00000
Hg5 Hg 0.29990 0.70010 0.70131 1.00000
获取直接链接