Y8Cu4Se
Alexandria ALEXAlex-ID: agm097329152 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1225_spg6
Y6CuSe5 YCu Y
2025-06-14 02:01:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097329152).
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 agm097329152
data_agm097329152
_cell_length_a 3.84698
_cell_length_b 9.29531
_cell_length_c 9.69889
_cell_angle_alpha 105.34986
_cell_angle_beta 89.98395
_cell_angle_gamma 90.00395
_cell_volume 334.44890
_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 0.30746 0.06969 0.44463 1.00000
Y2 Y 0.30758 0.19235 0.89585 1.00000
Y3 Y 0.30763 0.60399 0.16532 1.00000
Y4 Y 0.30775 0.67938 0.82238 1.00000
Y5 Y 0.80728 0.35313 0.29459 1.00000
Y6 Y 0.80737 0.36721 0.66031 1.00000
Y7 Y 0.80727 0.89938 0.11138 1.00000
Y8 Y 0.80734 0.74706 0.49671 1.00000
Cu1 Cu 0.80870 0.90882 0.81627 1.00000
Cu2 Cu 0.80807 0.06415 0.65838 1.00000
Cu3 Cu 0.80846 0.47109 0.96116 1.00000
Cu4 Cu 0.30784 0.51072 0.50564 1.00000
Se1 Se 0.30724 0.13303 0.16736 1.00000
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