K9Ag
Alexandria ALEXAlex-ID: agm071523014 · 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
AB9_66_spg212
K2Ag3 K
2024-09-12 14:09:39.845991
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071523014).
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 agm071523014
data_agm071523014
_cell_length_a 13.99133
_cell_length_b 13.99133
_cell_length_c 13.99133
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2738.90272
_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 0.62486 0.38221 0.63671 1.00000
K2 K 0.87514 0.61779 0.13671 1.00000
K3 K 0.37514 0.88221 0.86329 1.00000
K4 K 0.12486 0.11779 0.36329 1.00000
K5 K 0.63671 0.62486 0.38221 1.00000
K6 K 0.13671 0.87514 0.61779 1.00000
K7 K 0.86329 0.37514 0.88221 1.00000
K8 K 0.36329 0.12486 0.11779 1.00000
K9 K 0.38221 0.63671 0.62486 1.00000
K10 K 0.61779 0.13671 0.87514 1.00000
K11 K 0.88221 0.86329 0.37514 1.00000
K12 K 0.11779 0.36329 0.12486 1.00000
K13 K 0.63221 0.37486 0.11329 1.00000
K14 K 0.86779 0.62514 0.61329 1.00000
K15 K 0.13221 0.12514 0.88671 1.00000
K16 K 0.36779 0.87486 0.38671 1.00000
K17 K 0.87486 0.38671 0.36779 1.00000
K18 K 0.12514 0.88671 0.13221 1.00000
K19 K 0.62514 0.61329 0.86779 1.00000
K20 K 0.37486 0.11329 0.63221 1.00000
K21 K 0.88671 0.13221 0.12514 1.00000
K22 K 0.38671 0.36779 0.87486 1.00000
K23 K 0.11329 0.63221 0.37486 1.00000
K24 K 0.61329 0.86779 0.62514 1.00000
K25 K 0.12500 0.49959 0.75041 1.00000
K26 K 0.37500 0.50041 0.25041 1.00000
K27 K 0.87500 0.99959 0.74959 1.00000
K28 K 0.62500 0.00041 0.24959 1.00000
K29 K 0.75041 0.12500 0.49959 1.00000
K30 K 0.25041 0.37500 0.50041 1.00000
K31 K 0.74959 0.87500 0.99959 1.00000
K32 K 0.24959 0.62500 0.00041 1.00000
K33 K 0.49959 0.75041 0.12500 1.00000
K34 K 0.50041 0.25041 0.37500 1.00000
K35 K 0.99959 0.74959 0.87500 1.00000
K36 K 0.00041 0.24959 0.62500 1.00000
Ag1 Ag 0.62500 0.62500 0.62500 1.00000
Ag2 Ag 0.87500 0.37500 0.12500 1.00000
Ag3 Ag 0.37500 0.12500 0.87500 1.00000
Ag4 Ag 0.12500 0.87500 0.37500 1.00000
