K8Zn
Alexandria ALEXAlex-ID: agm071477549 · 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
AB8_258_spg212
KZn13 K
2024-09-10 04:32:14.027341
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071477549).
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 agm071477549
data_agm071477549
_cell_length_a 13.32724
_cell_length_b 13.32724
_cell_length_c 13.32724
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2367.11991
_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 0.37969 0.37969 0.37969 1.00000
K2 K 0.12031 0.62031 0.87969 1.00000
K3 K 0.62031 0.87969 0.12031 1.00000
K4 K 0.87969 0.12031 0.62031 1.00000
K5 K 0.62969 0.12969 0.37031 1.00000
K6 K 0.87031 0.87031 0.87031 1.00000
K7 K 0.12969 0.37031 0.62969 1.00000
K8 K 0.37031 0.62969 0.12969 1.00000
K9 K 0.61953 0.36378 0.62862 1.00000
K10 K 0.88047 0.63622 0.12862 1.00000
K11 K 0.38047 0.86378 0.87138 1.00000
K12 K 0.11953 0.13622 0.37138 1.00000
K13 K 0.62862 0.61953 0.36378 1.00000
K14 K 0.12862 0.88047 0.63622 1.00000
K15 K 0.87138 0.38047 0.86378 1.00000
K16 K 0.37138 0.11953 0.13622 1.00000
K17 K 0.36378 0.62862 0.61953 1.00000
K18 K 0.63622 0.12862 0.88047 1.00000
K19 K 0.86378 0.87138 0.38047 1.00000
K20 K 0.13622 0.37138 0.11953 1.00000
K21 K 0.61378 0.36953 0.12138 1.00000
K22 K 0.88622 0.63047 0.62138 1.00000
K23 K 0.11378 0.13047 0.87862 1.00000
K24 K 0.38622 0.86953 0.37862 1.00000
K25 K 0.86953 0.37862 0.38622 1.00000
K26 K 0.13047 0.87862 0.11378 1.00000
K27 K 0.63047 0.62138 0.88622 1.00000
K28 K 0.36953 0.12138 0.61378 1.00000
K29 K 0.87862 0.11378 0.13047 1.00000
K30 K 0.37862 0.38622 0.86953 1.00000
K31 K 0.12138 0.61378 0.36953 1.00000
K32 K 0.62138 0.88622 0.63047 1.00000
Zn1 Zn 0.62500 0.62500 0.62500 1.00000
Zn2 Zn 0.87500 0.37500 0.12500 1.00000
Zn3 Zn 0.37500 0.12500 0.87500 1.00000
Zn4 Zn 0.12500 0.87500 0.37500 1.00000
