K4Rb3Cd2
Alexandria ALEXAlex-ID: agm005663554 · 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
A2B3C4_375_spg12
K2Cd3 K Rb
2023-06-27 07:02:18.458289
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663554).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005663554
data_agm005663554
_cell_length_a 5.65818
_cell_length_b 10.04454
_cell_length_c 11.55655
_cell_angle_alpha 63.44333
_cell_angle_beta 75.82976
_cell_angle_gamma 73.64103
_cell_volume 558.28668
_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 0.33433 0.34649 0.98486 1.00000
K2 K 0.88375 0.56724 0.66526 1.00000
K3 K 0.11625 0.43276 0.33474 1.00000
K4 K 0.66567 0.65351 0.01514 1.00000
Rb1 Rb 0.64320 0.08708 0.62652 1.00000
Rb2 Rb 0.00000 0.00000 0.00000 1.00000
Rb3 Rb 0.35680 0.91292 0.37348 1.00000
Cd1 Cd 0.76955 0.22990 0.23101 1.00000
Cd2 Cd 0.23045 0.77010 0.76899 1.00000
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