K2AuO2
Alexandria ALEXAlex-ID: agm002115192 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_904_spg1
K3AuO3 KAuO
2021-11-14 22:14:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002115192).
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 agm002115192
data_agm002115192
_cell_length_a 5.91577
_cell_length_b 6.75259
_cell_length_c 6.99798
_cell_angle_alpha 76.42530
_cell_angle_beta 67.22725
_cell_angle_gamma 67.86521
_cell_volume 237.46274
_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 0.82923 0.94159 0.75084 1.00000
K2 K 0.15099 0.22436 0.76835 1.00000
K3 K 0.72327 0.65139 0.39498 1.00000
K4 K 0.58304 0.22682 0.24672 1.00000
Au1 Au 0.33022 0.62691 0.91817 1.00000
Au2 Au 0.18290 0.93362 0.25647 1.00000
O1 O 0.63440 0.38031 0.76842 1.00000
O2 O 0.03158 0.87800 0.05754 1.00000
O3 O 0.29825 0.99381 0.46230 1.00000
O4 O 0.57789 0.31912 0.60142 1.00000
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