Tb3SmDy7
Alexandria ALEXAlex-ID: agm005980098 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C7_250_spg10
Tb5Dy Tb(SmDy3)2 TbDy5
2023-08-12 21:34:35.360021
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005980098).
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 agm005980098
data_agm005980098
_cell_length_a 8.88142
_cell_length_b 9.90660
_cell_length_c 5.53772
_cell_angle_alpha 90.00279
_cell_angle_beta 128.53992
_cell_angle_gamma 105.49407
_cell_volume 358.18107
_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
Tb1 Tb 0.22085 0.00201 0.72120 1.00000
Tb2 Tb 0.00000 0.50000 0.00000 1.00000
Tb3 Tb 0.77915 0.99799 0.27880 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Dy1 Dy 0.92051 0.83072 0.92052 1.00000
Dy2 Dy 0.82188 0.64132 0.32188 1.00000
Dy3 Dy 0.64698 0.28990 0.14688 1.00000
Dy4 Dy 0.35302 0.71010 0.85312 1.00000
Dy5 Dy 0.50000 0.00000 0.50000 1.00000
Dy6 Dy 0.17812 0.35868 0.67812 1.00000
Dy7 Dy 0.07949 0.16928 0.07948 1.00000
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