U8FeSn6
Alexandria ALEXAlex-ID: agm072139125 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_45_spg148
U2Sn UFeSn USn3
2024-10-06 04:57:12.582120
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072139125).
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 agm072139125
data_agm072139125
_cell_length_a 7.09443
_cell_length_b 7.20325
_cell_length_c 7.60541
_cell_angle_alpha 73.18383
_cell_angle_beta 72.60253
_cell_angle_gamma 72.99598
_cell_volume 345.87895
_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 0.73700 0.77258 0.75603 1.00000
U2 U 0.26300 0.22742 0.24397 1.00000
U3 U 0.09802 0.63197 0.95028 1.00000
U4 U 0.59719 0.98696 0.12092 1.00000
U5 U 0.93293 0.04467 0.66606 1.00000
U6 U 0.90198 0.36803 0.04972 1.00000
U7 U 0.40281 0.01304 0.87908 1.00000
U8 U 0.06707 0.95533 0.33394 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.84587 0.58617 0.37745 1.00000
Sn2 Sn 0.57023 0.39080 0.82133 1.00000
Sn3 Sn 0.39389 0.80959 0.55759 1.00000
Sn4 Sn 0.15413 0.41383 0.62255 1.00000
Sn5 Sn 0.42977 0.60920 0.17867 1.00000
Sn6 Sn 0.60611 0.19041 0.44241 1.00000
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