UVSi
Alexandria ALEXAlex-ID: agm005684763 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_6_spg62
U2Si U4Si V5Si3
2023-06-18 11:22:08.597010
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684763).
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 agm005684763
data_agm005684763
_cell_length_a 3.57201
_cell_length_b 7.80255
_cell_length_c 7.25681
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 202.25305
_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 0.25000 0.37947 0.52071 1.00000
U2 U 0.75000 0.62053 0.47929 1.00000
U3 U 0.25000 0.12053 0.02071 1.00000
U4 U 0.75000 0.87947 0.97929 1.00000
V1 V 0.25000 0.56033 0.12347 1.00000
V2 V 0.75000 0.43967 0.87653 1.00000
V3 V 0.25000 0.93967 0.62347 1.00000
V4 V 0.75000 0.06033 0.37653 1.00000
Si1 Si 0.25000 0.65038 0.79241 1.00000
Si2 Si 0.75000 0.34962 0.20759 1.00000
Si3 Si 0.25000 0.84962 0.29241 1.00000
Si4 Si 0.75000 0.15038 0.70759 1.00000
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