U8SbAu6
Alexandria ALEXAlex-ID: agm072134992 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_38_spg148
U2Sb UAu
2024-10-07 06:59:59.613909
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072134992).
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 agm072134992
data_agm072134992
_cell_length_a 7.67071
_cell_length_b 7.67071
_cell_length_c 7.67071
_cell_angle_alpha 62.34851
_cell_angle_beta 62.34851
_cell_angle_gamma 62.34851
_cell_volume 335.87050
_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 0.24672 0.24672 0.24672 1.00000
U2 U 0.75328 0.75328 0.75328 1.00000
U3 U 0.86839 0.06080 0.42038 1.00000
U4 U 0.42038 0.86839 0.06080 1.00000
U5 U 0.06080 0.42038 0.86839 1.00000
U6 U 0.13161 0.93920 0.57962 1.00000
U7 U 0.57962 0.13161 0.93920 1.00000
U8 U 0.93920 0.57962 0.13161 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.15899 0.60408 0.40164 1.00000
Au2 Au 0.40164 0.15899 0.60408 1.00000
Au3 Au 0.60408 0.40164 0.15899 1.00000
Au4 Au 0.84101 0.39592 0.59836 1.00000
Au5 Au 0.59836 0.84101 0.39592 1.00000
Au6 Au 0.39592 0.59836 0.84101 1.00000
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