Sm5Zn2Sn5
Alexandria ALEXAlex-ID: agm003373752 · 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
A2B5C5_18_spg12
SmZnSn SmSn
2022-02-08 22:26:08.539903
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003373752).
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 agm003373752
data_agm003373752
_cell_length_a 4.59208
_cell_length_b 8.41184
_cell_length_c 11.05885
_cell_angle_alpha 127.58497
_cell_angle_beta 90.00000
_cell_angle_gamma 105.84009
_cell_volume 317.80361
_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 0.50000 0.00000 0.50000 1.00000
Sm2 Sm 0.60668 0.21337 0.91676 1.00000
Sm3 Sm 0.69138 0.38277 0.32603 1.00000
Sm4 Sm 0.30862 0.61723 0.67397 1.00000
Sm5 Sm 0.39332 0.78663 0.08324 1.00000
Zn1 Zn 0.14002 0.28005 0.73656 1.00000
Zn2 Zn 0.85998 0.71995 0.26344 1.00000
Sn1 Sn 0.06445 0.12891 0.36049 1.00000
Sn2 Sn 0.75520 0.51041 0.81985 1.00000
Sn3 Sn 0.24480 0.48959 0.18015 1.00000
Sn4 Sn 0.93555 0.87109 0.63951 1.00000
Sn5 Sn 0.00000 0.00000 0.00000 1.00000
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