La3(URu2)2
Alexandria ALEXAlex-ID: agm005647243 · 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
A2B3C4_373_spg12
La4Ru La2URu3 U
2023-06-28 05:32:55.162947
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647243).
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 agm005647243
data_agm005647243
_cell_length_a 3.85249
_cell_length_b 6.92374
_cell_length_c 8.92324
_cell_angle_alpha 108.59750
_cell_angle_beta 90.00006
_cell_angle_gamma 106.15326
_cell_volume 215.64940
_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 0.59850 0.19700 0.70510 1.00000
La2 La 0.00000 0.00000 0.00000 1.00000
La3 La 0.40150 0.80300 0.29490 1.00000
U1 U 0.68579 0.37158 0.32116 1.00000
U2 U 0.31421 0.62842 0.67884 1.00000
Ru1 Ru 0.71022 0.42043 0.08357 1.00000
Ru2 Ru 0.28978 0.57957 0.91643 1.00000
Ru3 Ru 0.89634 0.79269 0.56839 1.00000
Ru4 Ru 0.10366 0.20731 0.43161 1.00000
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