LaDyY3
Alexandria ALEXAlex-ID: agm003705282 · 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
ABC3_676_spg12
Dy5Y DyY5 LaY2
2022-04-18 04:23:35.947967
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705282).
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 agm003705282
data_agm003705282
_cell_length_a 3.60070
_cell_length_b 10.18177
_cell_length_c 11.92076
_cell_angle_alpha 105.29762
_cell_angle_beta 98.67767
_cell_angle_gamma 122.03646
_cell_volume 333.98322
_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 0.10856 0.52027 0.65601 1.00000
La2 La 0.89144 0.47973 0.34399 1.00000
Dy1 Dy 0.24347 0.24482 0.75170 1.00000
Dy2 Dy 0.75653 0.75518 0.24830 1.00000
Y1 Y 0.91141 0.13060 0.43150 1.00000
Y2 Y 0.00837 0.32789 0.03275 1.00000
Y3 Y 0.15832 0.05544 0.15049 1.00000
Y4 Y 0.08859 0.86940 0.56850 1.00000
Y5 Y 0.84168 0.94456 0.84951 1.00000
Y6 Y 0.99163 0.67211 0.96725 1.00000
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