Cs5Rb2Au4
Alexandria ALEXAlex-ID: agm005654635 · 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_752_spg12
Cs5Au4 Rb
2023-06-22 13:01:56.208800
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654635).
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 agm005654635
data_agm005654635
_cell_length_a 5.38386
_cell_length_b 12.79103
_cell_length_c 10.86641
_cell_angle_alpha 109.74658
_cell_angle_beta 104.34317
_cell_angle_gamma 90.00001
_cell_volume 679.47812
_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
Cs1 Cs 0.80951 0.20167 0.61902 1.00000
Cs2 Cs 0.19049 0.79833 0.38098 1.00000
Cs3 Cs 0.83770 0.62056 0.67540 1.00000
Cs4 Cs 0.50000 0.00000 0.00000 1.00000
Cs5 Cs 0.16230 0.37944 0.32460 1.00000
Rb1 Rb 0.51062 0.65402 0.02123 1.00000
Rb2 Rb 0.48938 0.34598 0.97877 1.00000
Au1 Au 0.34634 0.42776 0.69267 1.00000
Au2 Au 0.98421 0.18348 0.96842 1.00000
Au3 Au 0.65366 0.57224 0.30733 1.00000
Au4 Au 0.01579 0.81652 0.03158 1.00000
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