K8PCl4
Alexandria ALEXAlex-ID: agm097600802 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_65_spg8
K5P4 K KCl
2025-06-18 05:52:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097600802).
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 agm097600802
data_agm097600802
_cell_length_a 5.88614
_cell_length_b 9.80902
_cell_length_c 9.55251
_cell_angle_alpha 101.95495
_cell_angle_beta 79.44444
_cell_angle_gamma 103.06865
_cell_volume 520.18990
_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 0.81757 0.63594 0.15832 1.00000
K2 K 0.01413 0.29954 0.87870 1.00000
K3 K 0.59035 0.43535 0.69756 1.00000
K4 K 0.97941 0.93266 0.77052 1.00000
K5 K 0.30950 0.22853 0.15364 1.00000
K6 K 0.21792 0.60919 0.47697 1.00000
K7 K 0.39659 0.86280 0.98961 1.00000
K8 K 0.68718 0.03672 0.47953 1.00000
P1 P 0.49710 0.13402 0.81444 1.00000
Cl1 Cl 0.88276 0.94678 0.13288 1.00000
Cl2 Cl 0.29300 0.55328 0.14089 1.00000
Cl3 Cl 0.06322 0.61180 0.80738 1.00000
Cl4 Cl 0.75126 0.71340 0.49955 1.00000
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