Fe(Ni2H)2
Alexandria ALEXAlex-ID: agm096489751 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_118_spg166
FeNi3 NiH FeH
2025-04-10 19:12:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096489751).
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 agm096489751
data_agm096489751
_cell_length_a 2.56792
_cell_length_b 3.62305
_cell_length_c 6.87890
_cell_angle_alpha 105.56618
_cell_angle_beta 100.73033
_cell_angle_gamma 89.97581
_cell_volume 60.49080
_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 0.50912 0.97389 0.94757 1.00000
Ni1 Ni 0.91959 0.38843 0.76630 1.00000
Ni2 Ni 0.70959 0.18731 0.35045 1.00000
Ni3 Ni 0.31706 0.75612 0.55938 1.00000
Ni4 Ni 0.10851 0.57699 0.14903 1.00000
H1 H 0.12167 0.08739 0.17370 1.00000
H2 H 0.81446 0.02988 0.55356 1.00000
获取直接链接