TbPr4DyHo2
Alexandria ALEXAlex-ID: agm004867751 · 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
PrDyHo4 Tb2Pr3Dy Pr
2023-01-28 10:21:54.726672
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004867751).
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 agm004867751
data_agm004867751
_cell_length_a 5.18814
_cell_length_b 5.15313
_cell_length_c 11.31788
_cell_angle_alpha 62.90512
_cell_angle_beta 89.99976
_cell_angle_gamma 89.99982
_cell_volume 269.37813
_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 0.50000 0.50000 1.00000 1.00000
Pr1 Pr 0.00000 0.75065 0.74985 1.00000
Pr2 Pr 1.00000 0.24935 0.25015 1.00000
Pr3 Pr 0.50000 0.74902 0.25047 1.00000
Pr4 Pr 0.50000 0.25099 0.74953 1.00000
Dy1 Dy 0.00000 0.49999 0.50000 1.00000
Ho1 Ho 0.00000 0.00000 1.00000 1.00000
Ho2 Ho 0.50000 0.00000 0.50000 1.00000
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