Tb3Pr5Dy
Alexandria ALEXAlex-ID: agm005961825 · 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
AB3C5_368_spg15
Tb5Pr3 Tb2Pr3Dy Pr
2023-08-01 07:42:56.293315
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961825).
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 agm005961825
data_agm005961825
_cell_length_a 6.34024
_cell_length_b 11.06413
_cell_length_c 11.79663
_cell_angle_alpha 124.48938
_cell_angle_beta 90.00000
_cell_angle_gamma 106.64986
_cell_volume 639.53392
_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 0.00000 0.00000 0.00000 1.00000
Tb2 Tb 0.39978 0.35124 0.32577 1.00000
Tb3 Tb 0.00000 0.00000 0.50000 1.00000
Tb4 Tb 0.60022 0.64876 0.67423 1.00000
Tb5 Tb 0.95146 0.35124 0.82577 1.00000
Tb6 Tb 0.04854 0.64876 0.17423 1.00000
Pr1 Pr 0.41098 0.00000 0.75000 1.00000
Pr2 Pr 0.64007 0.64088 0.97274 1.00000
Pr3 Pr 0.81303 0.27774 0.11892 1.00000
Pr4 Pr 0.35993 0.35912 0.02726 1.00000
Pr5 Pr 0.53529 0.72226 0.38108 1.00000
Pr6 Pr 0.58902 0.00000 0.25000 1.00000
Pr7 Pr 0.00081 0.64088 0.47274 1.00000
Pr8 Pr 0.99919 0.35912 0.52726 1.00000
Pr9 Pr 0.46471 0.27774 0.61892 1.00000
Pr10 Pr 0.18697 0.72226 0.88108 1.00000
Dy1 Dy 0.89938 0.00000 0.75000 1.00000
Dy2 Dy 0.10062 0.00000 0.25000 1.00000
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