Y8CoCu4
Alexandria ALEXAlex-ID: agm098097571 · 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_640_spg1
Y3Co Y YCu
2025-06-13 02:59:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098097571).
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 agm098097571
data_agm098097571
_cell_length_a 8.30930
_cell_length_b 4.61165
_cell_length_c 9.91284
_cell_angle_alpha 90.00000
_cell_angle_beta 123.65009
_cell_angle_gamma 90.00000
_cell_volume 316.20601
_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 0.65568 0.50000 0.57030 1.00000
Y2 Y 0.91750 0.50000 0.16460 1.00000
Y3 Y 0.37079 0.50000 0.79341 1.00000
Y4 Y 0.33931 0.50000 0.12775 1.00000
Y5 Y 0.71244 0.00000 0.86135 1.00000
Y6 Y 0.75344 0.00000 0.32974 1.00000
Y7 Y 0.06031 0.00000 0.79065 1.00000
Y8 Y 0.22876 0.00000 0.48625 1.00000
Co1 Co 0.94066 0.50000 0.89513 1.00000
Cu1 Cu 0.10395 0.00000 0.11850 1.00000
Cu2 Cu 0.98966 0.50000 0.50849 1.00000
Cu3 Cu 0.48380 0.00000 0.99741 1.00000
Cu4 Cu 0.44370 0.00000 0.35641 1.00000
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