Y6In14Cu11
Alexandria ALEXAlex-ID: agm009440177 · 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
A6B11C14_0_spg8
YInCu4 YIn3 Cu
2024-05-29 03:15:27.446398
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009440177).
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 agm009440177
data_agm009440177
_cell_length_a 11.46579
_cell_length_b 11.46579
_cell_length_c 14.83018
_cell_angle_alpha 61.17802
_cell_angle_beta 61.17802
_cell_angle_gamma 22.21930
_cell_volume 642.14970
_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 0.63656 0.63656 0.68189 1.00000
Y2 Y 0.36344 0.36344 0.31811 1.00000
Y3 Y 0.12166 0.12166 0.13837 1.00000
Y4 Y 0.87834 0.87834 0.86163 1.00000
Y5 Y 0.14070 0.14070 0.86740 1.00000
Y6 Y 0.85930 0.85930 0.13260 1.00000
In1 In 0.60612 0.60612 0.48932 1.00000
In2 In 0.39388 0.39388 0.51068 1.00000
In3 In 0.23632 0.23632 0.25417 1.00000
In4 In 0.48331 0.48331 0.71458 1.00000
In5 In 0.46236 0.46236 0.93494 1.00000
In6 In 0.93580 0.93580 0.60835 1.00000
In7 In 0.53764 0.53764 0.06506 1.00000
In8 In 0.51669 0.51669 0.28542 1.00000
In9 In 0.19993 0.19993 0.49792 1.00000
In10 In 0.76368 0.76368 0.74583 1.00000
In11 In 0.26047 0.26047 0.91742 1.00000
In12 In 0.06420 0.06420 0.39165 1.00000
In13 In 0.80007 0.80007 0.50208 1.00000
In14 In 0.73953 0.73953 0.08258 1.00000
Cu1 Cu 0.67803 0.67803 0.96349 1.00000
Cu2 Cu 0.35660 0.35660 0.71701 1.00000
Cu3 Cu 0.05898 0.05898 0.62092 1.00000
Cu4 Cu 0.75153 0.75153 0.35973 1.00000
Cu5 Cu 0.03278 0.03278 0.80789 1.00000
Cu6 Cu 0.32197 0.32197 0.03651 1.00000
Cu7 Cu 0.94102 0.94102 0.37908 1.00000
Cu8 Cu 0.96722 0.96722 0.19211 1.00000
Cu9 Cu 0.24847 0.24847 0.64027 1.00000
Cu10 Cu 0.00000 0.00000 0.00000 1.00000
Cu11 Cu 0.64340 0.64340 0.28299 1.00000
