KU3
Alexandria ALEXAlex-ID: agm005223341 · 空间群: Pnnm (#58)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_1896_spg58
U K
2023-05-07 14:44:27.957947
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223341).
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 agm005223341
data_agm005223341
_cell_length_a 14.01143
_cell_length_b 4.77184
_cell_length_c 9.62892
_cell_angle_alpha 60.28827
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 559.15349
_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
K1 K 0.49987 0.74722 0.25168 1.00000
K2 K 0.99987 0.25278 0.24832 1.00000
K3 K 0.50013 0.25278 0.74832 1.00000
K4 K 0.00013 0.74722 0.75168 1.00000
U1 U 0.73285 0.15795 0.34284 1.00000
U2 U 0.26696 0.17197 0.32718 1.00000
U3 U 0.76696 0.82803 0.17282 1.00000
U4 U 0.23285 0.84205 0.15716 1.00000
U5 U 0.26715 0.84205 0.65716 1.00000
U6 U 0.73304 0.82803 0.67282 1.00000
U7 U 0.23304 0.17197 0.82718 1.00000
U8 U 0.76715 0.15795 0.84284 1.00000
U9 U 0.77269 0.49326 0.50759 1.00000
U10 U 0.22731 0.50674 0.49241 1.00000
U11 U 0.72731 0.49326 0.00759 1.00000
U12 U 0.27269 0.50674 0.99241 1.00000
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