Y6Cd3Cu2Ru
Alexandria ALEXAlex-ID: agm040973071 · 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
AB2C3D6_175_spg12
Y5Ru2 YCd Y6Cd5Ru Y2CdCu2
2024-11-14 14:32:03.977353
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040973071).
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
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# CIF generated by HEAS from Alexandria entry agm040973071
data_agm040973071
_cell_length_a 7.90003
_cell_length_b 7.90003
_cell_length_c 9.06358
_cell_angle_alpha 58.54222
_cell_angle_beta 58.54222
_cell_angle_gamma 36.81466
_cell_volume 283.08556
_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 0.91075 0.91075 0.77864 1.00000
Y2 Y 0.76264 0.76264 0.22162 1.00000
Y3 Y 0.08925 0.08925 0.22136 1.00000
Y4 Y 0.57265 0.57265 0.78196 1.00000
Y5 Y 0.23736 0.23736 0.77838 1.00000
Y6 Y 0.42735 0.42735 0.21804 1.00000
Cd1 Cd 0.16787 0.16787 0.49694 1.00000
Cd2 Cd 0.83213 0.83213 0.50306 1.00000
Cd3 Cd 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.33006 0.33006 0.99974 1.00000
Cu2 Cu 0.66994 0.66994 0.00026 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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