LaPrDy4
Alexandria ALEXAlex-ID: agm005750048 · 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
ABC4_1110_spg12
La3Pr5 PrDy5 LaDy4
2023-07-28 21:49:52.419054
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005750048).
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 agm005750048
data_agm005750048
_cell_length_a 5.08807
_cell_length_b 8.06670
_cell_length_c 11.39892
_cell_angle_alpha 148.00261
_cell_angle_beta 90.01003
_cell_angle_gamma 108.41557
_cell_volume 198.98065
_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 0.99999 0.99999 1.00000 1.00000
Pr1 Pr 0.49998 0.99998 0.49998 1.00000
Dy1 Dy 0.83407 0.66881 0.50222 1.00000
Dy2 Dy 0.16590 0.33116 0.49777 1.00000
Dy3 Dy 0.33396 0.66845 0.00328 1.00000
Dy4 Dy 0.66601 0.33152 0.99670 1.00000
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