U6SbOs2
Alexandria ALEXAlex-ID: agm005642377 · 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
AB2C6_636_spg71
U2Sb U2Os
2023-07-09 08:25:30.941258
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642377).
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
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# CIF generated by HEAS from Alexandria entry agm005642377
data_agm005642377
_cell_length_a 2.94269
_cell_length_b 8.35018
_cell_length_c 8.35017
_cell_angle_alpha 60.57060
_cell_angle_beta 79.85144
_cell_angle_gamma 79.85145
_cell_volume 174.94461
_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 0.67245 0.99818 0.65692 1.00000
U2 U 0.32755 0.00182 0.34308 1.00000
U3 U 0.32755 0.34308 0.00182 1.00000
U4 U 0.50000 0.66328 0.33672 1.00000
U5 U 0.50000 0.33672 0.66328 1.00000
U6 U 0.67245 0.65692 0.99818 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.84437 0.65564 0.65564 1.00000
Os2 Os 0.15563 0.34436 0.34436 1.00000
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