La5(PrY)3
Alexandria ALEXAlex-ID: agm008317389 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C5_74_spg8
LaPr La2Pr LaY2
2024-05-10 20:07:17.123921
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008317389).
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 agm008317389
data_agm008317389
_cell_length_a 6.39033
_cell_length_b 8.23973
_cell_length_c 8.24642
_cell_angle_alpha 107.25585
_cell_angle_beta 97.49709
_cell_angle_gamma 104.94510
_cell_volume 390.43067
_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 0.18232 0.18163 0.63731 1.00000
La2 La 0.81698 0.72831 0.36385 1.00000
La3 La 0.54591 0.63799 0.90862 1.00000
La4 La 0.27203 0.54448 0.45317 1.00000
La5 La 0.63675 0.00021 0.72934 1.00000
Pr1 Pr 0.00034 0.45292 0.00061 1.00000
Pr2 Pr 0.36248 0.90975 0.27034 1.00000
Pr3 Pr 0.72911 0.36330 0.54391 1.00000
Y1 Y 0.45442 0.26959 0.09143 1.00000
Y2 Y 0.09028 0.81999 0.82140 1.00000
Y3 Y 0.90936 0.09182 0.18001 1.00000
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