Cu3Ni4
Alexandria ALEXAlex-ID: agm010159451 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_15_spg8
Ni Cu
2025-05-25 21:38:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010159451).
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 agm010159451
data_agm010159451
_cell_length_a 5.64731
_cell_length_b 5.64731
_cell_length_c 6.16531
_cell_angle_alpha 68.32543
_cell_angle_beta 111.67457
_cell_angle_gamma 154.35618
_cell_volume 78.75365
_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
Cu1 Cu 0.00143 0.99857 0.99990 1.00000
Cu2 Cu 0.28421 0.71579 0.85841 1.00000
Cu3 Cu 0.85677 0.14323 0.57057 1.00000
Ni1 Ni 0.57234 0.42766 0.71109 1.00000
Ni2 Ni 0.13964 0.86036 0.42624 1.00000
Ni3 Ni 0.42853 0.57147 0.28695 1.00000
Ni4 Ni 0.71558 0.28442 0.14685 1.00000
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