SmY(HoPd2)2
Alexandria ALEXAlex-ID: agm017153972 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_433_spg74
SmHoPd2 YPd HoPd
2024-11-03 07:04:42.361433
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017153972).
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 agm017153972
data_agm017153972
_cell_length_a 7.24110
_cell_length_b 7.23920
_cell_length_c 7.51783
_cell_angle_alpha 74.84282
_cell_angle_beta 74.84954
_cell_angle_gamma 78.30951
_cell_volume 363.31849
_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 0.38043 0.42133 0.09773 1.00000
Sm2 Sm 0.40984 0.94844 0.46033 1.00000
Y1 Y 0.40742 0.94487 0.95965 1.00000
Y2 Y 0.88360 0.92101 0.09692 1.00000
Ho1 Ho 0.88422 0.92126 0.59928 1.00000
Ho2 Ho 0.90527 0.44630 0.95985 1.00000
Ho3 Ho 0.90729 0.44738 0.46148 1.00000
Ho4 Ho 0.38214 0.42354 0.59921 1.00000
Pd1 Pd 0.68751 0.22617 0.32802 1.00000
Pd2 Pd 0.10161 0.14409 0.23660 1.00000
Pd3 Pd 0.61009 0.64431 0.73436 1.00000
Pd4 Pd 0.18092 0.72217 0.81831 1.00000
Pd5 Pd 0.68520 0.22241 0.81529 1.00000
Pd6 Pd 0.60803 0.64353 0.23722 1.00000
Pd7 Pd 0.10542 0.14942 0.73642 1.00000
Pd8 Pd 0.18154 0.72166 0.32876 1.00000
获取直接链接