Nb(NiPt3)2
Alexandria ALEXAlex-ID: agm003499643 · 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
AB2C6_678_spg71
NbPt5 Ni3Pt NiPt
2022-03-01 08:48:26.476262
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003499643).
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 agm003499643
data_agm003499643
_cell_length_a 4.44346
_cell_length_b 5.20423
_cell_length_c 6.83841
_cell_angle_alpha 82.49209
_cell_angle_beta 71.04109
_cell_angle_gamma 64.72845
_cell_volume 135.23853
_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
Nb1 Nb 0.00000 0.50000 0.50000 1.00000
Ni1 Ni 0.32288 0.57749 0.77676 1.00000
Ni2 Ni 0.67712 0.42251 0.22324 1.00000
Pt1 Pt 0.67234 0.75209 0.90324 1.00000
Pt2 Pt 0.32766 0.24791 0.09676 1.00000
Pt3 Pt 0.00371 0.82351 0.16907 1.00000
Pt4 Pt 0.34698 0.87652 0.42952 1.00000
Pt5 Pt 0.99629 0.17649 0.83093 1.00000
Pt6 Pt 0.65302 0.12348 0.57048 1.00000
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