La5SmDy6
Alexandria ALEXAlex-ID: agm006117745 · 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_50_spg71
La5Sm LaSm LaDy4
2023-08-29 18:32:36.575723
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117745).
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 agm006117745
data_agm006117745
_cell_length_a 5.21696
_cell_length_b 10.02529
_cell_length_c 9.61658
_cell_angle_alpha 121.41715
_cell_angle_beta 105.74026
_cell_angle_gamma 89.99687
_cell_volume 406.96622
_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
Dy1 Dy 0.83396 0.58459 0.66789 1.00000
Dy2 Dy 0.83393 0.08330 0.66789 1.00000
Dy3 Dy 0.50003 0.75089 1.00000 1.00000
Dy4 Dy 0.49997 0.24911 0.00000 1.00000
Dy5 Dy 0.16607 0.91670 0.33211 1.00000
Dy6 Dy 0.16604 0.41541 0.33211 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
La1 La 0.66536 0.16536 0.33072 1.00000
La2 La 0.33308 0.33308 0.66616 1.00000
La3 La 0.00000 0.50000 0.00000 1.00000
La4 La 0.66692 0.66692 0.33384 1.00000
La5 La 0.33464 0.83464 0.66928 1.00000
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