Pu8Fe4Si
Alexandria ALEXAlex-ID: agm097698641 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_274_spg12
PuFe2 Pu3(Fe3Si)2 Pu
2025-06-19 02:13:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097698641).
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 agm097698641
data_agm097698641
_cell_length_a 3.86024
_cell_length_b 7.91878
_cell_length_c 8.24513
_cell_angle_alpha 107.97987
_cell_angle_beta 80.46147
_cell_angle_gamma 91.45805
_cell_volume 236.32879
_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
Pu1 Pu 0.27779 0.12409 0.79215 1.00000
Pu2 Pu 0.30185 0.69980 0.78652 1.00000
Pu3 Pu 0.33946 0.62160 0.35626 1.00000
Pu4 Pu 0.52130 0.22057 0.41744 1.00000
Pu5 Pu 0.64665 0.86454 0.59451 1.00000
Pu6 Pu 0.77416 0.31864 0.72541 1.00000
Pu7 Pu 0.76177 0.36837 0.15907 1.00000
Pu8 Pu 0.69016 0.77217 0.14829 1.00000
Fe1 Fe 0.75140 0.96462 0.96311 1.00000
Fe2 Fe 0.19857 0.48700 0.99365 1.00000
Fe3 Fe 0.89398 0.50840 0.52892 1.00000
Fe4 Fe 0.15262 0.99657 0.40508 1.00000
Si1 Si 0.19028 0.05362 0.12960 1.00000
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