Rb5AgO
Alexandria ALEXAlex-ID: agm005752599 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_429_spg15
Rb9O2 Rb Ag
2023-07-17 15:48:36.199454
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752599).
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 agm005752599
data_agm005752599
_cell_length_a 8.66105
_cell_length_b 8.66105
_cell_length_c 11.84730
_cell_angle_alpha 93.94168
_cell_angle_beta 113.57216
_cell_angle_gamma 111.03566
_cell_volume 736.49017
_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
Rb1 Rb 0.87270 0.19032 0.11221 1.00000
Rb2 Rb 0.17561 0.74218 0.47161 1.00000
Rb3 Rb 0.42190 0.23951 0.61221 1.00000
Rb4 Rb 0.30760 0.05760 0.25000 1.00000
Rb5 Rb 0.77058 0.70400 0.02839 1.00000
Rb6 Rb 0.22942 0.29600 0.97161 1.00000
Rb7 Rb 0.69240 0.94240 0.75000 1.00000
Rb8 Rb 0.57810 0.76049 0.38779 1.00000
Rb9 Rb 0.82439 0.25782 0.52839 1.00000
Rb10 Rb 0.12730 0.80968 0.88779 1.00000
Ag1 Ag 0.68491 0.43491 0.25000 1.00000
Ag2 Ag 0.31509 0.56509 0.75000 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
O2 O 0.50000 0.00000 0.50000 1.00000
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