Co2NiPt2
Alexandria ALEXAlex-ID: agm005822643 · 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
AB2C2_461_spg71
CoNiPt CoNiPt2 Co3Pt
2023-08-03 14:30:31.992428
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005822643).
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 agm005822643
data_agm005822643
_cell_length_a 4.46623
_cell_length_b 4.46623
_cell_length_c 8.01427
_cell_angle_alpha 94.90011
_cell_angle_beta 103.20971
_cell_angle_gamma 115.89165
_cell_volume 136.84398
_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
Co1 Co 0.76243 0.26198 0.99993 1.00000
Co2 Co 0.26205 0.26250 0.50007 1.00000
Co3 Co 0.23757 0.73802 0.00007 1.00000
Co4 Co 0.73795 0.73750 0.49993 1.00000
Ni1 Ni 0.75033 0.00033 0.25000 1.00000
Ni2 Ni 0.24967 0.99967 0.75000 1.00000
Pt1 Pt 0.37084 0.31054 0.18037 1.00000
Pt2 Pt 0.13017 0.69047 0.31963 1.00000
Pt3 Pt 0.62916 0.68946 0.81963 1.00000
Pt4 Pt 0.86983 0.30953 0.68037 1.00000
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