Sm4DyY2Mg
Alexandria ALEXAlex-ID: agm004855729 · 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
ABC2D4_443_spg123
Sm3Dy5 Y2Mg Sm
2023-01-26 07:51:59.420719
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004855729).
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 agm004855729
data_agm004855729
_cell_length_a 5.02195
_cell_length_b 5.03020
_cell_length_c 11.25766
_cell_angle_alpha 63.44244
_cell_angle_beta 90.00022
_cell_angle_gamma 90.00017
_cell_volume 254.37780
_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 1.00000 0.74699 0.75311 1.00000
Sm2 Sm 1.00000 0.25301 0.24689 1.00000
Sm3 Sm 0.50000 0.75287 0.24674 1.00000
Sm4 Sm 0.50000 0.24713 0.75326 1.00000
Dy1 Dy 1.00000 0.50000 0.50000 1.00000
Y1 Y 1.00000 0.00001 0.99999 1.00000
Y2 Y 0.50000 0.99999 0.50001 1.00000
Mg1 Mg 0.50000 0.50000 1.00000 1.00000
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