La2Dy6Y5
Alexandria ALEXAlex-ID: agm005649997 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_66_spg55
Dy5Y LaDy4 LaY2
2023-06-21 02:58:45.941195
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649997).
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 agm005649997
data_agm005649997
_cell_length_a 3.60891
_cell_length_b 11.73879
_cell_length_c 20.41972
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 865.06517
_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
La1 La 0.00000 0.32919 0.27832 1.00000
La2 La 0.00000 0.67081 0.72168 1.00000
La3 La 0.00000 0.82919 0.22168 1.00000
La4 La 0.00000 0.17081 0.77832 1.00000
Dy1 Dy 0.00000 0.07437 0.36111 1.00000
Dy2 Dy 0.00000 0.92563 0.63889 1.00000
Dy3 Dy 0.00000 0.57437 0.13889 1.00000
Dy4 Dy 0.00000 0.42563 0.86111 1.00000
Dy5 Dy 0.50000 0.31957 0.12285 1.00000
Dy6 Dy 0.50000 0.68043 0.87715 1.00000
Dy7 Dy 0.50000 0.81957 0.37715 1.00000
Dy8 Dy 0.50000 0.18043 0.62285 1.00000
Dy9 Dy 0.00000 0.56327 0.42659 1.00000
Dy10 Dy 0.00000 0.43673 0.57341 1.00000
Dy11 Dy 0.00000 0.06327 0.07341 1.00000
Dy12 Dy 0.00000 0.93673 0.92659 1.00000
Y1 Y 0.50000 0.30053 0.44371 1.00000
Y2 Y 0.50000 0.69947 0.55629 1.00000
Y3 Y 0.50000 0.80053 0.05629 1.00000
Y4 Y 0.50000 0.19947 0.94371 1.00000
Y5 Y 0.50000 0.59075 0.28327 1.00000
Y6 Y 0.50000 0.40925 0.71673 1.00000
Y7 Y 0.50000 0.09075 0.21673 1.00000
Y8 Y 0.50000 0.90925 0.78327 1.00000
Y9 Y 0.50000 0.50000 0.00000 1.00000
Y10 Y 0.50000 0.00000 0.50000 1.00000
