K15H4
Alexandria ALEXAlex-ID: agm073024871 · 空间群: I-43d (#220)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B15_10_spg220
KH K
2024-10-20 11:52:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073024871).
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 agm073024871
data_agm073024871
_cell_length_a 15.01361
_cell_length_b 15.01361
_cell_length_c 15.01361
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 2605.15378
_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 0.69344 0.04704 0.93308 1.00000
K2 K 0.75000 0.87500 0.12500 1.00000
K3 K 0.14640 0.88604 0.45296 1.00000
K4 K 0.73964 0.35360 0.80656 1.00000
K5 K 0.56692 0.61396 0.76036 1.00000
K6 K 0.23964 0.30656 0.85360 1.00000
K7 K 0.80656 0.73964 0.35360 1.00000
K8 K 0.38604 0.64640 0.95296 1.00000
K9 K 0.06692 0.26036 0.11396 1.00000
K10 K 0.93308 0.69344 0.04704 1.00000
K11 K 0.45296 0.14640 0.88604 1.00000
K12 K 0.30656 0.85360 0.23964 1.00000
K13 K 0.12500 0.75000 0.87500 1.00000
K14 K 0.35360 0.80656 0.73964 1.00000
K15 K 0.37500 0.25000 0.62500 1.00000
K16 K 0.11396 0.06692 0.26036 1.00000
K17 K 0.95296 0.38604 0.64640 1.00000
K18 K 0.43308 0.54704 0.19344 1.00000
K19 K 0.64640 0.95296 0.38604 1.00000
K20 K 0.62500 0.37500 0.25000 1.00000
K21 K 0.04704 0.93308 0.69344 1.00000
K22 K 0.88604 0.45296 0.14640 1.00000
K23 K 0.85360 0.23964 0.30656 1.00000
K24 K 0.76036 0.56692 0.61396 1.00000
K25 K 0.54704 0.19344 0.43308 1.00000
K26 K 0.61396 0.76036 0.56692 1.00000
K27 K 0.19344 0.43308 0.54704 1.00000
K28 K 0.25000 0.62500 0.37500 1.00000
K29 K 0.26036 0.11396 0.06692 1.00000
K30 K 0.87500 0.12500 0.75000 1.00000
H1 H 0.50000 0.00000 0.34168 1.00000
H2 H 0.00000 0.34168 0.50000 1.00000
H3 H 0.50000 0.00000 0.84168 1.00000
H4 H 0.65832 0.65832 0.65832 1.00000
H5 H 0.15832 0.15832 0.15832 1.00000
H6 H 0.00000 0.84168 0.50000 1.00000
H7 H 0.84168 0.50000 0.00000 1.00000
H8 H 0.34168 0.50000 0.00000 1.00000
