La3Dy2Y7
Alexandria ALEXAlex-ID: agm005601751 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_198_spg65
Dy5Y DyY5 LaY2
2023-06-13 19:22:48.466495
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005601751).
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 agm005601751
data_agm005601751
_cell_length_a 3.67875
_cell_length_b 5.67127
_cell_length_c 20.63426
_cell_angle_alpha 89.99966
_cell_angle_beta 95.10587
_cell_angle_gamma 90.00000
_cell_volume 428.78817
_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 0.50000 0.50000 0.00000 1.00000
La2 La 0.83002 0.99999 0.65956 1.00000
La3 La 0.16998 0.00001 0.34044 1.00000
Dy1 Dy 0.36332 0.49999 0.72632 1.00000
Dy2 Dy 0.63668 0.50001 0.27368 1.00000
Y1 Y 0.28462 0.50000 0.56933 1.00000
Y2 Y 0.71538 0.50000 0.43067 1.00000
Y3 Y 0.41528 0.99999 0.83065 1.00000
Y4 Y 0.00000 0.00000 0.00000 1.00000
Y5 Y 0.58472 0.00001 0.16935 1.00000
Y6 Y 0.06804 0.50001 0.13599 1.00000
Y7 Y 0.93196 0.49999 0.86401 1.00000
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