V3Fe2Ni5
Alexandria ALEXAlex-ID: agm003346366 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_101_spg72
VNi3 VFe3 VNi2
2022-02-02 15:44:36.977292
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003346366).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003346366
data_agm003346366
_cell_length_a 4.59760
_cell_length_b 7.88125
_cell_length_c 7.88125
_cell_angle_alpha 97.04287
_cell_angle_beta 73.04148
_cell_angle_gamma 73.04148
_cell_volume 254.45893
_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 0.35138 0.49332 0.80392 1.00000
V2 V 0.85138 0.80392 0.49332 1.00000
V3 V 0.64862 0.50668 0.19608 1.00000
V4 V 0.14862 0.19608 0.50668 1.00000
V5 V 0.25000 0.00000 0.00000 1.00000
V6 V 0.75000 0.00000 0.00000 1.00000
Fe1 Fe 0.08305 0.66156 0.17234 1.00000
Fe2 Fe 0.58305 0.17234 0.66156 1.00000
Fe3 Fe 0.91695 0.33844 0.82766 1.00000
Fe4 Fe 0.41695 0.82766 0.33844 1.00000
Ni1 Ni 0.34639 0.30864 0.99857 1.00000
Ni2 Ni 0.84639 0.99857 0.30864 1.00000
Ni3 Ni 0.65361 0.69136 0.00143 1.00000
Ni4 Ni 0.15361 0.00143 0.69136 1.00000
Ni5 Ni 0.49821 0.75179 0.75179 1.00000
Ni6 Ni 0.50179 0.24821 0.24821 1.00000
Ni7 Ni 0.75000 0.50000 0.50000 1.00000
Ni8 Ni 0.25000 0.50000 0.50000 1.00000
Ni9 Ni 0.00179 0.24821 0.24821 1.00000
Ni10 Ni 0.99821 0.75179 0.75179 1.00000
获取直接链接