KAl3Ge2
Alexandria ALEXAlex-ID: agm005806513 · 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
AB2C3_6_spg12
K(AlGe)2 Al
2023-08-07 04:04:37.760488
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806513).
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
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# CIF generated by HEAS from Alexandria entry agm005806513
data_agm005806513
_cell_length_a 4.21645
_cell_length_b 8.75309
_cell_length_c 8.40821
_cell_angle_alpha 114.33772
_cell_angle_beta 89.99999
_cell_angle_gamma 103.93702
_cell_volume 272.68617
_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 0.84919 0.69838 0.94741 1.00000
K2 K 0.15081 0.30162 0.05259 1.00000
Al1 Al 0.31796 0.63593 0.55176 1.00000
Al2 Al 0.95671 0.91342 0.61088 1.00000
Al3 Al 0.58018 0.16036 0.64619 1.00000
Al4 Al 0.41982 0.83964 0.35381 1.00000
Al5 Al 0.04329 0.08658 0.38912 1.00000
Al6 Al 0.68204 0.36407 0.44824 1.00000
Ge1 Ge 0.48152 0.96303 0.81570 1.00000
Ge2 Ge 0.51848 0.03697 0.18430 1.00000
Ge3 Ge 0.80540 0.61081 0.33282 1.00000
Ge4 Ge 0.19460 0.38919 0.66718 1.00000
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