Sr3Y(UAs3)2
Alexandria ALEXAlex-ID: agm035862803 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_251_spg12
Sr3Y(UAs3)2
2024-12-08 03:03:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035862803).
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 agm035862803
data_agm035862803
_cell_length_a 9.62211
_cell_length_b 9.62211
_cell_length_c 8.65525
_cell_angle_alpha 75.69614
_cell_angle_beta 104.30386
_cell_angle_gamma 154.42831
_cell_volume 334.60898
_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
Sr1 Sr 0.50000 0.50000 0.50000 1.00000
Sr2 Sr 0.83541 0.16459 0.16690 1.00000
Sr3 Sr 0.16459 0.83541 0.83310 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
U1 U 0.83515 0.16485 0.67058 1.00000
U2 U 0.16485 0.83515 0.32942 1.00000
As1 As 0.33782 0.66218 0.89456 1.00000
As2 As 0.67596 0.32404 0.56163 1.00000
As3 As 0.66218 0.33782 0.10544 1.00000
As4 As 0.00979 0.99021 0.24024 1.00000
As5 As 0.99021 0.00979 0.75976 1.00000
As6 As 0.32404 0.67596 0.43837 1.00000
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