Ac2La5Dy12
Alexandria ALEXAlex-ID: agm005659326 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_257_spg12
La5Dy LaDy4 Ac
2023-06-27 21:17:02.694708
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659326).
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 agm005659326
data_agm005659326
_cell_length_a 7.27028
_cell_length_b 15.00677
_cell_length_c 16.43161
_cell_angle_alpha 153.86743
_cell_angle_beta 89.88936
_cell_angle_gamma 104.12454
_cell_volume 659.39725
_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 0.75131 0.00030 0.00031 1.00000
Ac2 Ac 0.24869 0.99970 0.99969 1.00000
La1 La 0.25078 0.50115 0.50070 1.00000
La2 La 0.49655 0.99580 0.39899 1.00000
La3 La 0.00000 0.00000 0.50000 1.00000
La4 La 0.50345 0.00420 0.60101 1.00000
La5 La 0.74922 0.49885 0.49930 1.00000
Dy1 Dy 0.96168 0.92509 0.12458 1.00000
Dy2 Dy 0.01560 0.55503 0.94777 1.00000
Dy3 Dy 0.53701 0.55572 0.94831 1.00000
Dy4 Dy 0.04582 0.59530 0.38186 1.00000
Dy5 Dy 0.55176 0.59516 0.38148 1.00000
Dy6 Dy 0.54061 0.07905 0.87777 1.00000
Dy7 Dy 0.45939 0.92095 0.12223 1.00000
Dy8 Dy 0.95418 0.40470 0.61814 1.00000
Dy9 Dy 0.44824 0.40484 0.61852 1.00000
Dy10 Dy 0.98440 0.44497 0.05223 1.00000
Dy11 Dy 0.46299 0.44428 0.05169 1.00000
Dy12 Dy 0.03832 0.07491 0.87542 1.00000
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