K2Rb5Cd4
Alexandria ALEXAlex-ID: agm005656255 · 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
A2B4C5_346_spg12
Rb KCd2
2023-06-21 19:32:03.163576
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656255).
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 agm005656255
data_agm005656255
_cell_length_a 4.97565
_cell_length_b 9.68417
_cell_length_c 14.07322
_cell_angle_alpha 99.34308
_cell_angle_beta 100.18210
_cell_angle_gamma 89.99998
_cell_volume 658.29762
_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 0.27707 0.33500 0.55413 1.00000
K2 K 0.72293 0.66500 0.44587 1.00000
Rb1 Rb 0.89773 0.59370 0.79546 1.00000
Rb2 Rb 0.10227 0.40630 0.20454 1.00000
Rb3 Rb 0.84669 0.03052 0.69337 1.00000
Rb4 Rb 0.50000 0.00000 0.00000 1.00000
Rb5 Rb 0.15331 0.96948 0.30663 1.00000
Cd1 Cd 0.41215 0.29939 0.82431 1.00000
Cd2 Cd 0.03107 0.70821 0.06213 1.00000
Cd3 Cd 0.58785 0.70061 0.17569 1.00000
Cd4 Cd 0.96893 0.29179 0.93787 1.00000
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