Nb3Ni8
Alexandria ALEXAlex-ID: agm005536611 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B8_104_spg2
Nb7Ni6 NbNi3
2023-05-28 06:08:08.806268
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005536611).
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 agm005536611
data_agm005536611
_cell_length_a 6.66175
_cell_length_b 4.55052
_cell_length_c 6.97012
_cell_angle_alpha 118.70882
_cell_angle_beta 126.64969
_cell_angle_gamma 66.14349
_cell_volume 146.58803
_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 0.50000 0.00000 0.50000 1.00000
Nb2 Nb 0.00000 0.50000 0.50000 1.00000
Nb3 Nb 0.50000 0.50000 0.00000 1.00000
Ni1 Ni 0.94593 0.31095 0.04756 1.00000
Ni2 Ni 0.26585 0.01823 0.86441 1.00000
Ni3 Ni 0.14515 0.82826 0.41390 1.00000
Ni4 Ni 0.42067 0.38103 0.27699 1.00000
Ni5 Ni 0.57933 0.61897 0.72301 1.00000
Ni6 Ni 0.85485 0.17174 0.58610 1.00000
Ni7 Ni 0.73415 0.98177 0.13559 1.00000
Ni8 Ni 0.05407 0.68905 0.95244 1.00000
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