K2GaGeH
Alexandria ALEXAlex-ID: agm005000613 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1609_spg11
KGaH2 KH K2Ga3 KGe
2022-07-04 08:02:56.343760
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005000613).
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 agm005000613
data_agm005000613
_cell_length_a 4.23772
_cell_length_b 6.97738
_cell_length_c 10.26622
_cell_angle_alpha 110.63811
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 284.07291
_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 0.75000 0.80130 0.58739 1.00000
K2 K 0.75000 0.77687 0.04585 1.00000
K3 K 0.25000 0.19870 0.41261 1.00000
K4 K 0.25000 0.22313 0.95415 1.00000
Ga1 Ga 0.25000 0.54145 0.76278 1.00000
Ga2 Ga 0.75000 0.45855 0.23722 1.00000
Ge1 Ge 0.25000 0.64985 0.28763 1.00000
Ge2 Ge 0.75000 0.35015 0.71237 1.00000
H1 H 0.25000 0.80481 0.84344 1.00000
H2 H 0.75000 0.19519 0.15656 1.00000
获取直接链接