Sm3(UFe)4
Alexandria ALEXAlex-ID: agm009227101 · 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
A3B4C4_30_spg2
SmUFe2 Sm U
2024-06-24 11:55:57.298588
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009227101).
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 agm009227101
data_agm009227101
_cell_length_a 8.00913
_cell_length_b 8.00913
_cell_length_c 8.00913
_cell_angle_alpha 143.31328
_cell_angle_beta 133.28932
_cell_angle_gamma 60.81725
_cell_volume 221.11794
_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
Sm1 Sm 0.38481 0.88481 0.50000 1.00000
Sm2 Sm 0.61519 0.11519 0.50000 1.00000
Sm3 Sm 0.00000 0.00000 0.00000 1.00000
U1 U 0.95644 0.66254 0.29390 1.00000
U2 U 0.63136 0.33746 0.29390 1.00000
U3 U 0.04356 0.33746 0.70610 1.00000
U4 U 0.36864 0.66254 0.70610 1.00000
Fe1 Fe 0.78085 0.78085 0.00000 1.00000
Fe2 Fe 0.21915 0.21915 0.00000 1.00000
Fe3 Fe 0.30675 0.50000 0.80675 1.00000
Fe4 Fe 0.69325 0.50000 0.19325 1.00000
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