K2YO3
Alexandria ALEXAlex-ID: agm002228575 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_11_spg36
K5YO4 K5O6 KYO2
2023-03-26 12:38:21.037399
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002228575).
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 agm002228575
data_agm002228575
_cell_length_a 6.22555
_cell_length_b 6.56229
_cell_length_c 6.56229
_cell_angle_alpha 115.43571
_cell_angle_beta 90.00061
_cell_angle_gamma 90.00061
_cell_volume 242.10778
_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
Y1 Y 0.74999 0.89739 0.89739 1.00000
Y2 Y 0.25001 0.10261 0.10261 1.00000
K1 K 0.25000 0.47837 0.83198 1.00000
K2 K 0.25000 0.83198 0.47837 1.00000
K3 K 0.75000 0.52163 0.16802 1.00000
K4 K 0.75000 0.16802 0.52163 1.00000
O1 O 0.74998 0.59076 0.59076 1.00000
O2 O 0.25002 0.40924 0.40924 1.00000
O3 O 0.50000 0.13134 0.86866 1.00000
O4 O 1.00000 0.86866 0.13134 1.00000
O5 O 0.00000 0.13134 0.86866 1.00000
O6 O 0.50000 0.86866 0.13134 1.00000
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