Y2Cu3Ni2
Alexandria ALEXAlex-ID: agm009642425 · 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
A2B2C3_1653_spg12
YCu2 YCu5 Y3Cu2Ni7
2024-04-22 19:15:50.015799
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009642425).
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}
}
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# CIF generated by HEAS from Alexandria entry agm009642425
data_agm009642425
_cell_length_a 5.09708
_cell_length_b 5.09708
_cell_length_c 6.32260
_cell_angle_alpha 79.52298
_cell_angle_beta 79.52298
_cell_angle_gamma 45.96741
_cell_volume 115.76897
_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 0.61808 0.61808 0.67339 1.00000
Y2 Y 0.38192 0.38192 0.32661 1.00000
Cu1 Cu 0.29835 0.29835 0.88552 1.00000
Cu2 Cu 0.00000 0.00000 0.00000 1.00000
Cu3 Cu 0.70165 0.70165 0.11448 1.00000
Ni1 Ni 0.09012 0.09012 0.33578 1.00000
Ni2 Ni 0.90988 0.90988 0.66422 1.00000
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