SmCdSn
Alexandria ALEXAlex-ID: agm005703597 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_9347_spg11
SmCdSn
2023-06-17 04:00:46.613540
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703597).
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 agm005703597
data_agm005703597
_cell_length_a 4.57227
_cell_length_b 7.76083
_cell_length_c 13.53098
_cell_angle_alpha 86.46333
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 479.22679
_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 0.75000 0.53033 0.37939 1.00000
Sm2 Sm 0.25000 0.96499 0.70085 1.00000
Sm3 Sm 0.75000 0.03501 0.29915 1.00000
Sm4 Sm 0.75000 0.65775 0.08201 1.00000
Sm5 Sm 0.25000 0.46967 0.62061 1.00000
Sm6 Sm 0.25000 0.34225 0.91799 1.00000
Cd1 Cd 0.25000 0.99891 0.08848 1.00000
Cd2 Cd 0.25000 0.83905 0.45311 1.00000
Cd3 Cd 0.75000 0.61846 0.80101 1.00000
Cd4 Cd 0.75000 0.16095 0.54689 1.00000
Cd5 Cd 0.25000 0.38154 0.19899 1.00000
Cd6 Cd 0.75000 0.00109 0.91152 1.00000
Sn1 Sn 0.25000 0.75667 0.91291 1.00000
Sn2 Sn 0.75000 0.25554 0.75084 1.00000
Sn3 Sn 0.75000 0.75818 0.58125 1.00000
Sn4 Sn 0.75000 0.24333 0.08709 1.00000
Sn5 Sn 0.25000 0.24182 0.41875 1.00000
Sn6 Sn 0.25000 0.74446 0.24916 1.00000
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