Fe6CoPd5
Alexandria ALEXAlex-ID: agm006134142 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_50_spg71
Fe4Co Fe2Co FePd2
2023-08-26 12:25:49.181378
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006134142).
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 agm006134142
data_agm006134142
_cell_length_a 3.83386
_cell_length_b 7.40169
_cell_length_c 7.06392
_cell_angle_alpha 121.59478
_cell_angle_beta 105.74579
_cell_angle_gamma 89.99993
_cell_volume 161.84366
_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
Co1 Co 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.83876 0.59481 0.67753 1.00000
Fe2 Fe 0.83877 0.08273 0.67753 1.00000
Fe3 Fe 0.49999 0.75866 1.00000 1.00000
Fe4 Fe 0.50001 0.24134 0.00000 1.00000
Fe5 Fe 0.16123 0.91727 0.32247 1.00000
Fe6 Fe 0.16124 0.40519 0.32247 1.00000
Pd1 Pd 0.66574 0.16574 0.33148 1.00000
Pd2 Pd 0.33356 0.33356 0.66713 1.00000
Pd3 Pd 0.00000 0.50000 0.00000 1.00000
Pd4 Pd 0.66644 0.66644 0.33287 1.00000
Pd5 Pd 0.33426 0.83426 0.66852 1.00000
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