V2CuNi8
Alexandria ALEXAlex-ID: agm005990055 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_259_spg8
V2CuNi9 VNi3 Cu
2023-10-01 18:29:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990055).
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 agm005990055
data_agm005990055
_cell_length_a 3.91441
_cell_length_b 5.76681
_cell_length_c 6.66079
_cell_angle_alpha 115.66521
_cell_angle_beta 107.08797
_cell_angle_gamma 90.00000
_cell_volume 128.12013
_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
V1 V 0.19586 0.69613 0.39172 1.00000
V2 V 0.80414 0.30387 0.60828 1.00000
Cu1 Cu 0.50000 0.00000 0.00000 1.00000
Ni1 Ni 0.64345 0.85827 0.28691 1.00000
Ni2 Ni 0.35629 0.57138 0.71258 1.00000
Ni3 Ni 0.16572 0.16543 0.33144 1.00000
Ni4 Ni 0.00014 0.28854 0.00027 1.00000
Ni5 Ni 0.83428 0.83457 0.66855 1.00000
Ni6 Ni 0.64371 0.42862 0.28742 1.00000
Ni7 Ni 0.35655 0.14173 0.71309 1.00000
Ni8 Ni 0.99986 0.71146 0.99973 1.00000
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