Sm2Y3In4
Alexandria ALEXAlex-ID: agm005631366 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_1192_spg164
Sm5YIn6 Y5In4 Y2In
2023-06-29 06:34:16.065491
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005631366).
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 agm005631366
data_agm005631366
_cell_length_a 5.31614
_cell_length_b 5.31235
_cell_length_c 10.39040
_cell_angle_alpha 90.06780
_cell_angle_beta 90.00191
_cell_angle_gamma 59.97619
_cell_volume 254.06293
_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 0.33313 0.33374 0.77916 1.00000
Sm2 Sm 0.66687 0.66626 0.22084 1.00000
Y1 Y 0.33339 0.33322 0.42458 1.00000
Y2 Y 0.00000 0.00000 0.00000 1.00000
Y3 Y 0.66661 0.66678 0.57542 1.00000
In1 In 0.66649 0.66704 0.89852 1.00000
In2 In 0.00010 0.99980 0.34872 1.00000
In3 In 0.99990 0.00020 0.65128 1.00000
In4 In 0.33351 0.33296 0.10148 1.00000
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