K5Ge2O5
Alexandria ALEXAlex-ID: agm003373243 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_23_spg12
K4GeO4 K3Ge17 K6Ge2O7
2022-02-08 20:54:54.268413
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003373243).
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 agm003373243
data_agm003373243
_cell_length_a 3.88193
_cell_length_b 6.35249
_cell_length_c 10.11073
_cell_angle_alpha 106.45189
_cell_angle_beta 90.00000
_cell_angle_gamma 107.79089
_cell_volume 226.66188
_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 0.50000 0.00000 0.50000 1.00000
K2 K 0.65121 0.30242 0.05106 1.00000
K3 K 0.75412 0.50823 0.36431 1.00000
K4 K 0.24588 0.49177 0.63569 1.00000
K5 K 0.34879 0.69758 0.94894 1.00000
Ge1 Ge 0.03431 0.06862 0.79117 1.00000
Ge2 Ge 0.96569 0.93138 0.20883 1.00000
O1 O 0.09913 0.19826 0.35559 1.00000
O2 O 0.60997 0.21995 0.77183 1.00000
O3 O 0.39003 0.78005 0.22817 1.00000
O4 O 0.90087 0.80174 0.64441 1.00000
O5 O 0.00000 0.00000 0.00000 1.00000
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