Fe(CoPd3)2
Alexandria ALEXAlex-ID: agm005651471 · 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
AB2C6_643_spg12
FePd8 FePd5 Co
2023-07-07 01:41:54.833763
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651471).
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 agm005651471
data_agm005651471
_cell_length_a 3.88570
_cell_length_b 4.72516
_cell_length_c 8.01206
_cell_angle_alpha 94.28932
_cell_angle_beta 75.96640
_cell_angle_gamma 65.72155
_cell_volume 127.53581
_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 0.00000 0.50000 0.50000 1.00000
Co1 Co 0.78810 0.02388 0.39992 1.00000
Co2 Co 0.21190 0.97612 0.60008 1.00000
Pd1 Pd 0.89115 0.27891 0.93879 1.00000
Pd2 Pd 0.67010 0.84258 0.81723 1.00000
Pd3 Pd 0.32990 0.15742 0.18277 1.00000
Pd4 Pd 0.55062 0.59907 0.29970 1.00000
Pd5 Pd 0.44938 0.40093 0.70030 1.00000
Pd6 Pd 0.10885 0.72109 0.06121 1.00000
获取直接链接