Sr5SmIn6
Alexandria ALEXAlex-ID: agm006115265 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_53_spg71
SmIn SrIn
2023-09-08 21:27:02.229876
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115265).
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 agm006115265
data_agm006115265
_cell_length_a 5.72548
_cell_length_b 7.98994
_cell_length_c 9.89633
_cell_angle_alpha 66.19198
_cell_angle_beta 72.94637
_cell_angle_gamma 90.00112
_cell_volume 392.33780
_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
Sr1 Sr 0.67912 0.17927 0.64151 1.00000
Sr2 Sr 0.33916 0.33906 0.32183 1.00000
Sr3 Sr 0.00000 0.50000 0.00000 1.00000
Sr4 Sr 0.66084 0.66094 0.67817 1.00000
Sr5 Sr 0.32088 0.82073 0.35849 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
In1 In 0.84019 0.61052 0.31980 1.00000
In2 In 0.84016 0.06968 0.31984 1.00000
In3 In 0.49999 0.78134 0.00000 1.00000
In4 In 0.50001 0.21866 1.00000 1.00000
In5 In 0.15984 0.93032 0.68016 1.00000
In6 In 0.15981 0.38948 0.68020 1.00000
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