U4AsSe5
Alexandria ALEXAlex-ID: agm003656554 · 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
AB4C5_10_spg12
U2Se3 UAsSe U3As4
2022-04-06 05:34:13.017100
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003656554).
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 agm003656554
data_agm003656554
_cell_length_a 4.00010
_cell_length_b 8.29728
_cell_length_c 9.04699
_cell_angle_alpha 103.65038
_cell_angle_beta 102.77210
_cell_angle_gamma 90.00000
_cell_volume 284.13645
_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 0.33156 0.90862 0.66312 1.00000
U2 U 0.99803 0.74805 0.99607 1.00000
U3 U 0.66844 0.09138 0.33688 1.00000
U4 U 0.00197 0.25195 0.00393 1.00000
As1 As 0.50000 0.00000 0.00000 1.00000
Se1 Se 0.83435 0.66971 0.66869 1.00000
Se2 Se 0.83456 0.16054 0.66911 1.00000
Se3 Se 0.16544 0.83946 0.33089 1.00000
Se4 Se 0.50000 0.50000 0.00000 1.00000
Se5 Se 0.16565 0.33029 0.33131 1.00000
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