FeNi5Ir4
Alexandria ALEXAlex-ID: agm006123726 · 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
AB4C5_291_spg12
FeIr7 NiIr FeNi3
2023-10-11 02:42:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123726).
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 agm006123726
data_agm006123726
_cell_length_a 2.68061
_cell_length_b 8.35900
_cell_length_c 9.65430
_cell_angle_alpha 140.41081
_cell_angle_beta 97.98015
_cell_angle_gamma 90.00000
_cell_volume 134.54914
_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 0.50000 0.00000 0.00000 1.00000
Ni1 Ni 0.16655 0.37919 0.33310 1.00000
Ni2 Ni 0.16756 0.82565 0.33513 1.00000
Ni3 Ni 0.83244 0.17435 0.66487 1.00000
Ni4 Ni 0.50000 0.50000 0.00000 1.00000
Ni5 Ni 0.83345 0.62081 0.66690 1.00000
Ir1 Ir 0.68691 0.14057 0.37382 1.00000
Ir2 Ir 0.99494 0.24612 0.98987 1.00000
Ir3 Ir 0.31309 0.85943 0.62618 1.00000
Ir4 Ir 0.00506 0.75388 0.01013 1.00000
获取直接链接