Fe6Co2Si
Alexandria ALEXAlex-ID: agm005670145 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2170_spg15
Fe2CoSi Fe4Co
2023-07-09 14:18:06.450114
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005670145).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005670145
data_agm005670145
_cell_length_a 4.49720
_cell_length_b 8.38369
_cell_length_c 8.38369
_cell_angle_alpha 45.02287
_cell_angle_beta 109.32891
_cell_angle_gamma 109.32888
_cell_volume 208.75481
_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 0.51838 0.59336 0.56298 1.00000
Fe2 Fe 0.98162 0.43702 0.40664 1.00000
Fe3 Fe 0.48162 0.40664 0.43702 1.00000
Fe4 Fe 0.01838 0.56298 0.59336 1.00000
Fe5 Fe 0.90481 0.96782 0.37248 1.00000
Fe6 Fe 0.59519 0.62752 0.03218 1.00000
Fe7 Fe 0.09519 0.03218 0.62752 1.00000
Fe8 Fe 0.40481 0.37248 0.96782 1.00000
Fe9 Fe 0.18879 0.77553 0.05351 1.00000
Fe10 Fe 0.31121 0.94649 0.22447 1.00000
Fe11 Fe 0.81121 0.22447 0.94649 1.00000
Fe12 Fe 0.68879 0.05351 0.77553 1.00000
Co1 Co 0.96136 0.63991 0.81154 1.00000
Co2 Co 0.53864 0.18846 0.36009 1.00000
Co3 Co 0.03864 0.36009 0.18846 1.00000
Co4 Co 0.46136 0.81154 0.63991 1.00000
Si1 Si 0.25000 0.20175 0.79825 1.00000
Si2 Si 0.75000 0.79825 0.20175 1.00000
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