U5P3
Alexandria ALEXAlex-ID: agm005535211 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5_393_spg43
UP U2P
2023-05-28 02:46:12.546289
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005535211).
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 agm005535211
data_agm005535211
_cell_length_a 5.47912
_cell_length_b 8.28378
_cell_length_c 7.93835
_cell_angle_alpha 83.44652
_cell_angle_beta 69.81182
_cell_angle_gamma 70.68789
_cell_volume 319.14044
_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 0.63448 0.71449 0.80706 1.00000
U2 U 0.65103 0.71449 0.19294 1.00000
U3 U 0.69154 0.21449 0.69294 1.00000
U4 U 0.09398 0.21449 0.30706 1.00000
U5 U 0.61605 0.10284 0.20164 1.00000
U6 U 0.28111 0.10284 0.79836 1.00000
U7 U 0.06769 0.60284 0.29836 1.00000
U8 U 0.32947 0.60284 0.70164 1.00000
U9 U 0.02359 0.95283 0.50000 1.00000
U10 U 0.77359 0.45283 0.00000 1.00000
P1 P 0.02921 0.41564 0.62513 1.00000
P2 P 0.55515 0.41564 0.37487 1.00000
P3 P 0.90434 0.91564 0.87487 1.00000
P4 P 0.18002 0.91564 0.12513 1.00000
P5 P 0.56788 0.86424 0.50000 1.00000
P6 P 0.31788 0.36424 0.00000 1.00000
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