Y8CuRu2
Alexandria ALEXAlex-ID: agm006013485 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_1400_spg5
Y3Ru YCu Y
2023-10-13 05:43:25.162267
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006013485).
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 agm006013485
data_agm006013485
_cell_length_a 5.92197
_cell_length_b 7.57666
_cell_length_c 7.57666
_cell_angle_alpha 111.72763
_cell_angle_beta 99.74221
_cell_angle_gamma 99.74221
_cell_volume 301.10249
_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
Y1 Y 0.58391 0.34459 0.07912 1.00000
Y2 Y 0.58391 0.07912 0.34459 1.00000
Y3 Y 0.18131 0.37047 0.37047 1.00000
Y4 Y 0.98744 0.22113 0.77849 1.00000
Y5 Y 0.98744 0.77849 0.22113 1.00000
Y6 Y 0.79357 0.63419 0.63419 1.00000
Y7 Y 0.38188 0.92968 0.66451 1.00000
Y8 Y 0.38188 0.66451 0.92968 1.00000
Ru1 Ru 0.48543 0.69483 0.31717 1.00000
Ru2 Ru 0.48543 0.31717 0.69483 1.00000
Cu1 Cu 0.14747 0.99976 0.99976 1.00000
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