Sm2AlHg2
Alexandria ALEXAlex-ID: agm003403685 · 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
AB2C2_33_spg12
Sm3Hg4 SmAl2
2022-02-09 18:27:54.004555
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403685).
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 agm003403685
data_agm003403685
_cell_length_a 4.54729
_cell_length_b 6.10393
_cell_length_c 10.25761
_cell_angle_alpha 87.96797
_cell_angle_beta 77.19377
_cell_angle_gamma 68.13082
_cell_volume 257.30332
_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
Sm1 Sm 0.67131 0.32095 0.33643 1.00000
Sm2 Sm 0.91824 0.26808 0.89545 1.00000
Sm3 Sm 0.32869 0.67905 0.66357 1.00000
Sm4 Sm 0.08176 0.73192 0.10455 1.00000
Al1 Al 0.61790 0.09884 0.66535 1.00000
Al2 Al 0.38210 0.90116 0.33465 1.00000
Hg1 Hg 0.09107 0.25818 0.55967 1.00000
Hg2 Hg 0.64996 0.81837 0.88171 1.00000
Hg3 Hg 0.90893 0.74182 0.44033 1.00000
Hg4 Hg 0.35004 0.18163 0.11829 1.00000
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