TbNd2Dy5Ho
Alexandria ALEXAlex-ID: agm005166136 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_205_spg140
Nd3Dy5 NdDy4Ho TbDy5 Tb2Nd3Ho
2023-01-16 12:44:36.791912
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005166136).
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
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# CIF generated by HEAS from Alexandria entry agm005166136
data_agm005166136
_cell_length_a 8.61861
_cell_length_b 8.61861
_cell_length_c 9.96266
_cell_angle_alpha 115.62923
_cell_angle_beta 115.62923
_cell_angle_gamma 90.00000
_cell_volume 585.42425
_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 0.25000 0.25000 0.50000 1.00000
Tb2 Tb 0.75000 0.75000 0.50000 1.00000
Nd1 Nd 0.11821 0.38179 0.00000 1.00000
Nd2 Nd 0.61821 0.11821 0.00000 1.00000
Nd3 Nd 0.38179 0.88179 1.00000 1.00000
Nd4 Nd 0.88179 0.61821 0.00000 1.00000
Dy1 Dy 0.92794 0.42794 0.28085 1.00000
Dy2 Dy 0.64709 0.14709 0.71915 1.00000
Dy3 Dy 0.07206 0.57206 0.71915 1.00000
Dy4 Dy 0.14709 0.07206 0.71915 1.00000
Dy5 Dy 0.57206 0.64709 0.71915 1.00000
Dy6 Dy 0.85291 0.92794 0.28085 1.00000
Dy7 Dy 0.42794 0.35291 0.28085 1.00000
Dy8 Dy 0.35291 0.85291 0.28085 1.00000
Dy9 Dy 0.50000 0.50000 0.00000 1.00000
Dy10 Dy 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.25000 0.75000 0.50000 1.00000
Ho2 Ho 0.75000 0.25000 0.50000 1.00000
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