SmDy3In4
Alexandria ALEXAlex-ID: agm045758843 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_29_spg38
SmDy3In4
2024-10-15 21:33:46.924534
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045758843).
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 agm045758843
data_agm045758843
_cell_length_a 7.55699
_cell_length_b 7.55699
_cell_length_c 3.77761
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 215.73210
_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 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.50000 0.00000 0.00000 1.00000
Dy2 Dy 0.00000 0.50000 0.00000 1.00000
Dy3 Dy 0.50000 0.50000 0.00000 1.00000
In1 In 0.25369 0.74631 0.50000 1.00000
In2 In 0.74631 0.25369 0.50000 1.00000
In3 In 0.74631 0.74631 0.50000 1.00000
In4 In 0.25369 0.25369 0.50000 1.00000
