La2(YHg)3
Alexandria ALEXAlex-ID: agm005577751 · 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
A2B3C3_16_spg71
La2Hg Y2Hg LaHg
2023-06-06 09:29:56.026298
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005577751).
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 agm005577751
data_agm005577751
_cell_length_a 3.80711
_cell_length_b 5.29081
_cell_length_c 11.89185
_cell_angle_alpha 102.85328
_cell_angle_beta 99.21111
_cell_angle_gamma 90.00000
_cell_volume 230.36274
_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 0.27086 0.77086 0.54171 1.00000
La2 La 0.72914 0.22914 0.45829 1.00000
Y1 Y 0.38397 0.38397 0.76794 1.00000
Y2 Y 0.61603 0.61603 0.23206 1.00000
Y3 Y 0.50000 0.00000 0.00000 1.00000
Hg1 Hg 0.88864 0.88864 0.77728 1.00000
Hg2 Hg 0.00000 0.50000 0.00000 1.00000
Hg3 Hg 0.11136 0.11136 0.22272 1.00000
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