K3P
Alexandria ALEXAlex-ID: agm070940609 · 空间群: P2_12_12_1 (#19)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_5242_spg214
K5P4 K
2025-01-15 13:07:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070940609).
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 agm070940609
data_agm070940609
_cell_length_a 14.05739
_cell_length_b 14.34874
_cell_length_c 14.55186
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2935.19489
_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 0.65478 0.62298 0.58755 1.00000
K2 K 0.84522 0.37702 0.08755 1.00000
K3 K 0.15478 0.87702 0.41245 1.00000
K4 K 0.34522 0.12298 0.91245 1.00000
K5 K 0.87441 0.41008 0.65944 1.00000
K6 K 0.12559 0.91008 0.84056 1.00000
K7 K 0.62559 0.58992 0.15944 1.00000
K8 K 0.37441 0.08992 0.34056 1.00000
K9 K 0.90588 0.84314 0.62596 1.00000
K10 K 0.40588 0.65686 0.37404 1.00000
K11 K 0.09412 0.34314 0.87404 1.00000
K12 K 0.59412 0.15686 0.12596 1.00000
K13 K 0.12746 0.09443 0.66094 1.00000
K14 K 0.37254 0.90557 0.16094 1.00000
K15 K 0.87254 0.59443 0.83906 1.00000
K16 K 0.62746 0.40557 0.33906 1.00000
K17 K 0.34671 0.87671 0.58919 1.00000
K18 K 0.84671 0.62329 0.41081 1.00000
K19 K 0.15329 0.12329 0.08919 1.00000
K20 K 0.65329 0.37671 0.91081 1.00000
K21 K 0.09533 0.66113 0.62735 1.00000
K22 K 0.90467 0.16113 0.87265 1.00000
K23 K 0.59533 0.83887 0.37265 1.00000
K24 K 0.40467 0.33887 0.12735 1.00000
P1 P 0.37333 0.12179 0.12695 1.00000
P2 P 0.12667 0.87821 0.62695 1.00000
P3 P 0.87333 0.37821 0.87305 1.00000
P4 P 0.62667 0.62179 0.37305 1.00000
P5 P 0.62523 0.37370 0.12524 1.00000
P6 P 0.87477 0.62630 0.62524 1.00000
P7 P 0.37477 0.87370 0.37476 1.00000
P8 P 0.12523 0.12630 0.87476 1.00000
