K3P
Alexandria ALEXAlex-ID: agm071012191 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_5130_spg212
K5P4 K
2024-08-18 18:22:05.952653
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071012191).
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 agm071012191
data_agm071012191
_cell_length_a 11.47896
_cell_length_b 11.47896
_cell_length_c 11.47896
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1512.54341
_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 0.96745 0.29153 0.88290 1.00000
K2 K 0.53255 0.70847 0.38290 1.00000
K3 K 0.03255 0.79153 0.61710 1.00000
K4 K 0.46745 0.20847 0.11710 1.00000
K5 K 0.88290 0.96745 0.29153 1.00000
K6 K 0.38290 0.53255 0.70847 1.00000
K7 K 0.61710 0.03255 0.79153 1.00000
K8 K 0.11710 0.46745 0.20847 1.00000
K9 K 0.29153 0.88290 0.96745 1.00000
K10 K 0.70847 0.38290 0.53255 1.00000
K11 K 0.79153 0.61710 0.03255 1.00000
K12 K 0.20847 0.11710 0.46745 1.00000
K13 K 0.54153 0.71745 0.86710 1.00000
K14 K 0.95847 0.28255 0.36710 1.00000
K15 K 0.04153 0.78255 0.13290 1.00000
K16 K 0.45847 0.21745 0.63290 1.00000
K17 K 0.21745 0.63290 0.45847 1.00000
K18 K 0.78255 0.13290 0.04153 1.00000
K19 K 0.28255 0.36710 0.95847 1.00000
K20 K 0.71745 0.86710 0.54153 1.00000
K21 K 0.13290 0.04153 0.78255 1.00000
K22 K 0.63290 0.45847 0.21745 1.00000
K23 K 0.86710 0.54153 0.71745 1.00000
K24 K 0.36710 0.95847 0.28255 1.00000
P1 P 0.18187 0.18187 0.18187 1.00000
P2 P 0.31813 0.81813 0.68187 1.00000
P3 P 0.81813 0.68187 0.31813 1.00000
P4 P 0.68187 0.31813 0.81813 1.00000
P5 P 0.43187 0.93187 0.56813 1.00000
P6 P 0.06813 0.06813 0.06813 1.00000
P7 P 0.93187 0.56813 0.43187 1.00000
P8 P 0.56813 0.43187 0.93187 1.00000
