K2Ge3Au5
Alexandria ALEXAlex-ID: agm005609588 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_62_spg72
KAu5 K4Ge2Au7 Ge
2023-06-24 14:00:27.101008
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609588).
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 agm005609588
data_agm005609588
_cell_length_a 6.68033
_cell_length_b 9.15608
_cell_length_c 9.15608
_cell_angle_alpha 67.78425
_cell_angle_beta 68.60453
_cell_angle_gamma 68.60453
_cell_volume 465.71271
_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 0.13024 0.61980 0.11973 1.00000
K2 K 0.63024 0.11973 0.61980 1.00000
K3 K 0.86976 0.38020 0.88027 1.00000
K4 K 0.36976 0.88027 0.38020 1.00000
Ge1 Ge 0.37449 0.51030 0.74072 1.00000
Ge2 Ge 0.87449 0.74072 0.51030 1.00000
Ge3 Ge 0.62551 0.48970 0.25928 1.00000
Ge4 Ge 0.12551 0.25928 0.48970 1.00000
Ge5 Ge 0.25000 0.00000 0.00000 1.00000
Ge6 Ge 0.75000 0.00000 0.00000 1.00000
Au1 Au 0.38941 0.24123 0.97994 1.00000
Au2 Au 0.88941 0.97994 0.24123 1.00000
Au3 Au 0.61059 0.75877 0.02006 1.00000
Au4 Au 0.11059 0.02006 0.75877 1.00000
Au5 Au 0.50499 0.74501 0.74501 1.00000
Au6 Au 0.49501 0.25499 0.25499 1.00000
Au7 Au 0.75000 0.50000 0.50000 1.00000
Au8 Au 0.25000 0.50000 0.50000 1.00000
Au9 Au 0.99501 0.25499 0.25499 1.00000
Au10 Au 0.00499 0.74501 0.74501 1.00000
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