K2UZnO6
Alexandria ALEXAlex-ID: agm004940901 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1_spg225
K2U2O7 KO4 K2UO4 ZnO
2023-01-15 01:48:08.022743
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004940901).
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 agm004940901
data_agm004940901
_cell_length_a 5.85668
_cell_length_b 5.85577
_cell_length_c 5.84813
_cell_angle_alpha 59.94328
_cell_angle_beta 59.93509
_cell_angle_gamma 89.96530
_cell_volume 141.60184
_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 0.25013 0.75001 0.49978 1.00000
K2 K 0.74987 0.24999 0.50022 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
O1 O 0.24580 0.75418 0.99999 1.00000
O2 O 0.75430 0.75430 0.00016 1.00000
O3 O 0.24714 0.24713 0.50566 1.00000
O4 O 0.75420 0.24582 0.00001 1.00000
O5 O 0.24570 0.24570 0.99984 1.00000
O6 O 0.75286 0.75287 0.49434 1.00000
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