K2DyO3
Alexandria ALEXAlex-ID: agm002228544 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_5_spg15
K5DyO4 K5O6 KDyO2
2018-07-20 18:31:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002228544).
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 agm002228544
data_agm002228544
_cell_length_a 6.30377
_cell_length_b 6.30422
_cell_length_c 6.62218
_cell_angle_alpha 100.00255
_cell_angle_beta 100.00058
_cell_angle_gamma 119.19710
_cell_volume 215.77871
_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 0.00024 0.00017 0.99960 1.00000
K2 K 0.50023 0.50016 0.49959 1.00000
K3 K 0.65661 0.34378 0.99962 1.00000
K4 K 0.34388 0.65657 0.99956 1.00000
O1 O 0.81820 0.81814 0.29777 1.00000
O2 O 0.42978 0.03885 0.30799 1.00000
O3 O 0.03892 0.42975 0.30807 1.00000
O4 O 0.96154 0.57058 0.69112 1.00000
O5 O 0.57068 0.96148 0.69120 1.00000
O6 O 0.18228 0.18221 0.70143 1.00000
Dy1 Dy 0.16365 0.83684 0.49960 1.00000
Dy2 Dy 0.83682 0.16350 0.49960 1.00000
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