K13Rb2
Alexandria ALEXAlex-ID: agm003285490 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B13_9_spg2
Rb K
2022-01-16 12:28:29.323931
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003285490).
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 agm003285490
data_agm003285490
_cell_length_a 8.53924
_cell_length_b 12.02711
_cell_length_c 11.99943
_cell_angle_alpha 114.24602
_cell_angle_beta 82.19408
_cell_angle_gamma 95.99369
_cell_volume 1111.63571
_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 0.73075 0.60180 0.06715 1.00000
K2 K 0.26925 0.39820 0.93285 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
K4 K 0.34440 0.00010 0.67167 1.00000
K5 K 0.65560 0.99990 0.32833 1.00000
K6 K 0.07235 0.60318 0.74005 1.00000
K7 K 0.92765 0.39682 0.25995 1.00000
K8 K 0.39399 0.59626 0.39724 1.00000
K9 K 0.60601 0.40374 0.60276 1.00000
K10 K 0.53310 0.80056 0.87221 1.00000
K11 K 0.46690 0.19944 0.12779 1.00000
K12 K 0.80099 0.20796 0.80852 1.00000
K13 K 0.19901 0.79204 0.19148 1.00000
Rb1 Rb 0.86719 0.80161 0.53460 1.00000
Rb2 Rb 0.13281 0.19839 0.46540 1.00000
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