U3Fe7Co2
Alexandria ALEXAlex-ID: agm024654532 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
UFeCo U2Fe3 Fe
2025-05-16 04:12:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024654532).
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 agm024654532
data_agm024654532
_cell_length_a 8.86124
_cell_length_b 8.86124
_cell_length_c 8.86124
_cell_angle_alpha 31.40997
_cell_angle_beta 31.40997
_cell_angle_gamma 31.40997
_cell_volume 167.75569
_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
U1 U 0.00000 0.00000 0.00000 1.00000
U2 U 0.14501 0.14501 0.14501 1.00000
U3 U 0.85499 0.85499 0.85499 1.00000
Fe1 Fe 0.50000 0.50000 0.50000 1.00000
Fe2 Fe 0.08176 0.58165 0.58165 1.00000
Fe3 Fe 0.58165 0.58165 0.08176 1.00000
Fe4 Fe 0.58165 0.08176 0.58165 1.00000
Fe5 Fe 0.91824 0.41835 0.41835 1.00000
Fe6 Fe 0.41835 0.91824 0.41835 1.00000
Fe7 Fe 0.41835 0.41835 0.91824 1.00000
Co1 Co 0.33282 0.33282 0.33282 1.00000
Co2 Co 0.66718 0.66718 0.66718 1.00000
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