Cu2Ni5Pt4
Alexandria ALEXAlex-ID: agm005653717 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_662_spg10
Ni3Pt NiPt CuPt
2023-06-22 09:04:39.674213
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653717).
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 agm005653717
data_agm005653717
_cell_length_a 2.64964
_cell_length_b 10.31336
_cell_length_c 6.99372
_cell_angle_alpha 122.22645
_cell_angle_beta 67.85586
_cell_angle_gamma 89.97796
_cell_volume 144.71712
_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 0.42912 0.63698 0.07699 1.00000
Cu2 Cu 0.57088 0.36302 0.92301 1.00000
Ni1 Ni 0.96238 0.83151 0.53489 1.00000
Ni2 Ni 0.03762 0.16849 0.46512 1.00000
Ni3 Ni 0.28300 0.28749 0.21667 1.00000
Ni4 Ni 0.50000 1.00000 1.00000 1.00000
Ni5 Ni 0.71700 0.71251 0.78333 1.00000
Pt1 Pt 0.63918 0.56371 0.35957 1.00000
Pt2 Pt 0.77305 0.90035 0.22943 1.00000
Pt3 Pt 0.36082 0.43629 0.64043 1.00000
Pt4 Pt 0.22695 0.09965 0.77058 1.00000
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