Fe5Ni7
Alexandria ALEXAlex-ID: agm003293232 · 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
A5B7_11_spg35
FeNi FeNi3
2022-01-17 06:20:50.560068
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003293232).
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 agm003293232
data_agm003293232
_cell_length_a 3.53423
_cell_length_b 5.56330
_cell_length_c 12.85125
_cell_angle_alpha 141.58636
_cell_angle_beta 90.00000
_cell_angle_gamma 108.52016
_cell_volume 134.93338
_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
Fe1 Fe 0.17043 0.34085 0.50697 1.00000
Fe2 Fe 0.82957 0.65915 0.49303 1.00000
Fe3 Fe 0.41104 0.82209 0.24343 1.00000
Fe4 Fe 0.58896 0.17791 0.75657 1.00000
Fe5 Fe 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.24752 0.49504 0.74924 1.00000
Ni2 Ni 0.75248 0.50496 0.25076 1.00000
Ni3 Ni 0.08334 0.16668 0.24984 1.00000
Ni4 Ni 0.91666 0.83332 0.75016 1.00000
Ni5 Ni 0.66713 0.33426 0.00045 1.00000
Ni6 Ni 0.50000 0.00000 0.50000 1.00000
Ni7 Ni 0.33287 0.66574 0.99955 1.00000
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