K3Cd4Au
Alexandria ALEXAlex-ID: agm006102003 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_412_spg44
K2Cd3Au K2CdAu KCd2
2023-09-27 04:03:10.157311
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006102003).
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 agm006102003
data_agm006102003
_cell_length_a 6.19989
_cell_length_b 7.54187
_cell_length_c 7.50736
_cell_angle_alpha 120.15220
_cell_angle_beta 114.38845
_cell_angle_gamma 89.99998
_cell_volume 266.69265
_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 0.43692 0.67308 0.87383 1.00000
K2 K 0.08934 0.08934 0.17868 1.00000
K3 K 0.43692 0.20075 0.87383 1.00000
Au1 Au 0.97777 0.47777 0.95553 1.00000
Cd1 Cd 0.76288 0.45407 0.52575 1.00000
Cd2 Cd 0.76288 0.07168 0.52575 1.00000
Cd3 Cd 0.43192 0.69116 0.38231 1.00000
Cd4 Cd 0.95040 0.69116 0.38231 1.00000
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