K19P
Alexandria ALEXAlex-ID: agm067356552 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB19_0_spg148
K5P4 K
2025-01-14 20:11:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067356552).
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 agm067356552
data_agm067356552
_cell_length_a 12.42075
_cell_length_b 12.42075
_cell_length_c 12.42075
_cell_angle_alpha 111.09145
_cell_angle_beta 111.09145
_cell_angle_gamma 111.09145
_cell_volume 1379.54797
_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 0.76401 0.39553 0.34397 1.00000
K2 K 0.60447 0.65603 0.23599 1.00000
K3 K 0.97625 0.72724 0.82520 1.00000
K4 K 0.27276 0.17480 0.02375 1.00000
K5 K 0.65603 0.23599 0.60447 1.00000
K6 K 0.17480 0.02375 0.27276 1.00000
K7 K 0.82520 0.97625 0.72724 1.00000
K8 K 0.34397 0.76401 0.39553 1.00000
K9 K 0.72724 0.82520 0.97625 1.00000
K10 K 0.02375 0.27276 0.17480 1.00000
K11 K 0.39553 0.34397 0.76401 1.00000
K12 K 0.23599 0.60447 0.65603 1.00000
K13 K 0.54826 0.07974 0.86934 1.00000
K14 K 0.92026 0.13066 0.45174 1.00000
K15 K 0.13066 0.45174 0.92026 1.00000
K16 K 0.50000 0.50000 0.50000 1.00000
K17 K 0.86934 0.54826 0.07974 1.00000
K18 K 0.07974 0.86934 0.54826 1.00000
K19 K 0.45174 0.92026 0.13066 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
获取直接链接