Ac2Nd2Dy15
Alexandria ALEXAlex-ID: agm005549941 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C15_9_spg166
Nd2Dy7 NdDy8 Ac
2023-06-02 05:29:51.469392
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005549941).
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 agm005549941
data_agm005549941
_cell_length_a 8.79808
_cell_length_b 8.79808
_cell_length_c 8.79808
_cell_angle_alpha 81.00121
_cell_angle_beta 81.00121
_cell_angle_gamma 81.00121
_cell_volume 658.26032
_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
Ac1 Ac 0.88419 0.88419 0.88419 1.00000
Ac2 Ac 0.11581 0.11581 0.11581 1.00000
Nd1 Nd 0.66264 0.66264 0.66264 1.00000
Nd2 Nd 0.33736 0.33736 0.33736 1.00000
Dy1 Dy 0.00000 0.50000 0.00000 1.00000
Dy2 Dy 0.00000 0.00000 0.50000 1.00000
Dy3 Dy 0.50000 0.00000 0.00000 1.00000
Dy4 Dy 0.30713 1.00000 0.69287 1.00000
Dy5 Dy 0.69287 0.30713 0.00000 1.00000
Dy6 Dy 0.00000 0.69287 0.30713 1.00000
Dy7 Dy 0.30713 0.69287 1.00000 1.00000
Dy8 Dy 1.00000 0.30713 0.69287 1.00000
Dy9 Dy 0.69287 0.00000 0.30713 1.00000
Dy10 Dy 0.36728 0.84332 0.36728 1.00000
Dy11 Dy 0.36728 0.36728 0.84332 1.00000
Dy12 Dy 0.84332 0.36728 0.36728 1.00000
Dy13 Dy 0.63272 0.15668 0.63272 1.00000
Dy14 Dy 0.63272 0.63272 0.15668 1.00000
Dy15 Dy 0.15668 0.63272 0.63272 1.00000
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