Sm2Sn2Hg
Alexandria ALEXAlex-ID: agm003403136 · 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_228_spg12
SmSnHg SmSn
2022-02-12 00:23:59.204070
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403136).
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 agm003403136
data_agm003403136
_cell_length_a 4.77425
_cell_length_b 6.33306
_cell_length_c 10.24668
_cell_angle_alpha 90.70155
_cell_angle_beta 76.52828
_cell_angle_gamma 67.85634
_cell_volume 277.34047
_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 0.71156 0.21842 0.35846 1.00000
Sm2 Sm 0.88893 0.28262 0.93951 1.00000
Sm3 Sm 0.28844 0.78158 0.64154 1.00000
Sm4 Sm 0.11107 0.71738 0.06049 1.00000
Sn1 Sn 0.06158 0.30150 0.57534 1.00000
Sn2 Sn 0.63865 0.85753 0.86518 1.00000
Sn3 Sn 0.93842 0.69850 0.42466 1.00000
Sn4 Sn 0.36135 0.14247 0.13482 1.00000
Hg1 Hg 0.47201 0.30940 0.74658 1.00000
Hg2 Hg 0.52799 0.69060 0.25342 1.00000
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