Tb3(PrDy2)2
Alexandria ALEXAlex-ID: agm003333699 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_295_spg15
Tb5Dy Tb2Pr3Dy TbDy5
2022-01-30 01:24:40.345668
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333699).
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 agm003333699
data_agm003333699
_cell_length_a 6.04033
_cell_length_b 11.32711
_cell_length_c 11.32711
_cell_angle_alpha 62.05447
_cell_angle_beta 63.65766
_cell_angle_gamma 63.65766
_cell_volume 585.68853
_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 0.75971 0.01304 0.31506 1.00000
Tb2 Tb 0.74029 0.68494 0.98696 1.00000
Tb3 Tb 0.24029 0.98696 0.68494 1.00000
Tb4 Tb 0.25971 0.31506 0.01304 1.00000
Tb5 Tb 0.25000 0.64982 0.35018 1.00000
Tb6 Tb 0.75000 0.35018 0.64982 1.00000
Pr1 Pr 0.43238 0.27844 0.50975 1.00000
Pr2 Pr 0.06762 0.49025 0.72156 1.00000
Pr3 Pr 0.56762 0.72156 0.49025 1.00000
Pr4 Pr 0.93238 0.50975 0.27844 1.00000
Dy1 Dy 0.42094 0.95458 0.16861 1.00000
Dy2 Dy 0.07906 0.83139 0.04542 1.00000
Dy3 Dy 0.57906 0.04542 0.83139 1.00000
Dy4 Dy 0.92094 0.16861 0.95458 1.00000
Dy5 Dy 0.09461 0.15794 0.37640 1.00000
Dy6 Dy 0.40539 0.62360 0.84206 1.00000
Dy7 Dy 0.90539 0.84206 0.62360 1.00000
Dy8 Dy 0.59461 0.37640 0.15794 1.00000
获取直接链接