KY
Alexandria ALEXAlex-ID: agm004465488 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_2605_spg62
Y K
2022-05-30 08:08:08.512890
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004465488).
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 agm004465488
data_agm004465488
_cell_length_a 14.14290
_cell_length_b 3.71792
_cell_length_c 14.39260
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 756.79415
_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 0.65607 0.25000 0.92869 1.00000
K2 K 0.15607 0.25000 0.57131 1.00000
K3 K 0.34393 0.75000 0.07131 1.00000
K4 K 0.84393 0.75000 0.42869 1.00000
K5 K 0.38940 0.25000 0.79453 1.00000
K6 K 0.88940 0.25000 0.70547 1.00000
K7 K 0.61060 0.75000 0.20547 1.00000
K8 K 0.11060 0.75000 0.29453 1.00000
Y1 Y 0.58837 0.25000 0.45791 1.00000
Y2 Y 0.08837 0.25000 0.04209 1.00000
Y3 Y 0.41163 0.75000 0.54209 1.00000
Y4 Y 0.91163 0.75000 0.95791 1.00000
Y5 Y 0.37300 0.25000 0.34475 1.00000
Y6 Y 0.87300 0.25000 0.15525 1.00000
Y7 Y 0.62700 0.75000 0.65525 1.00000
Y8 Y 0.12700 0.75000 0.84475 1.00000
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