LaSm2Dy5
Alexandria ALEXAlex-ID: agm017015892 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_256_spg55
SmDy5 LaSm
2025-02-02 08:47:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017015892).
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 agm017015892
data_agm017015892
_cell_length_a 7.21245
_cell_length_b 11.60477
_cell_length_c 12.47088
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1043.79855
_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
La1 La 0.00000 0.50033 0.74895 1.00000
La2 La 0.00000 0.49967 0.25105 1.00000
La3 La 0.00000 0.99967 0.24895 1.00000
La4 La 0.00000 0.00033 0.75105 1.00000
Sm1 Sm 0.50000 0.00006 0.75112 1.00000
Sm2 Sm 0.50000 0.99994 0.24888 1.00000
Sm3 Sm 0.50000 0.49994 0.25112 1.00000
Sm4 Sm 0.50000 0.50006 0.74888 1.00000
Sm5 Sm 0.25126 0.00000 0.50000 1.00000
Sm6 Sm 0.74874 0.50000 0.00000 1.00000
Sm7 Sm 0.74874 0.00000 0.50000 1.00000
Sm8 Sm 0.25126 0.50000 0.00000 1.00000
Dy1 Dy 0.25173 0.25021 0.66691 1.00000
Dy2 Dy 0.25173 0.74979 0.33309 1.00000
Dy3 Dy 0.74827 0.24979 0.16691 1.00000
Dy4 Dy 0.74827 0.75021 0.83309 1.00000
Dy5 Dy 0.74827 0.74979 0.33309 1.00000
Dy6 Dy 0.74827 0.25021 0.66691 1.00000
Dy7 Dy 0.25173 0.75021 0.83309 1.00000
Dy8 Dy 0.25173 0.24979 0.16691 1.00000
Dy9 Dy 0.00000 0.24951 0.91752 1.00000
Dy10 Dy 0.00000 0.75049 0.08248 1.00000
Dy11 Dy 0.00000 0.25049 0.41752 1.00000
Dy12 Dy 0.00000 0.74951 0.58248 1.00000
Dy13 Dy 0.50000 0.24924 0.91596 1.00000
Dy14 Dy 0.50000 0.75076 0.08404 1.00000
Dy15 Dy 0.50000 0.25076 0.41596 1.00000
Dy16 Dy 0.50000 0.74924 0.58404 1.00000
Dy17 Dy 0.25136 0.00000 0.00000 1.00000
Dy18 Dy 0.74864 0.50000 0.50000 1.00000
Dy19 Dy 0.74864 0.00000 0.00000 1.00000
Dy20 Dy 0.25136 0.50000 0.50000 1.00000
