KCdGa
Alexandria ALEXAlex-ID: agm005641353 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_42_spg71
K2Ga3 KCd2 KGa3
2023-06-17 17:20:56.350412
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641353).
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 agm005641353
data_agm005641353
_cell_length_a 3.80581
_cell_length_b 6.38239
_cell_length_c 8.21853
_cell_angle_alpha 112.84831
_cell_angle_beta 103.38764
_cell_angle_gamma 90.00000
_cell_volume 178.06418
_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 0.30673 0.30673 0.61347 1.00000
K2 K 0.69327 0.69327 0.38653 1.00000
Cd1 Cd 1.00000 0.26987 0.00000 1.00000
Cd2 Cd 0.00000 0.73013 1.00000 1.00000
Ga1 Ga 0.59952 0.09952 0.19905 1.00000
Ga2 Ga 0.40048 0.90048 0.80095 1.00000
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