Rb2Ag12Se7
Alexandria ALEXAlex-ID: agm005672991 · 空间群: P-3 (#147)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B7C12_5_spg147
Ag2Se RbAg3Se2
2023-06-21 09:02:34.633706
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672991).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005672991
data_agm005672991
_cell_length_a 4.61251
_cell_length_b 10.99064
_cell_length_c 10.99063
_cell_angle_alpha 119.99999
_cell_angle_beta 89.99997
_cell_angle_gamma 90.00001
_cell_volume 482.51819
_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 0.25409 0.33333 0.66667 1.00000
Rb2 Rb 0.74591 0.66667 0.33333 1.00000
Ag1 Ag 0.29315 0.66142 0.05921 1.00000
Ag2 Ag 0.29315 0.39779 0.33858 1.00000
Ag3 Ag 0.29315 0.94079 0.60221 1.00000
Ag4 Ag 0.70685 0.33858 0.94079 1.00000
Ag5 Ag 0.70685 0.60221 0.66142 1.00000
Ag6 Ag 0.70685 0.05921 0.39779 1.00000
Ag7 Ag 0.19784 0.10099 0.24581 1.00000
Ag8 Ag 0.19784 0.14482 0.89901 1.00000
Ag9 Ag 0.19784 0.75419 0.85518 1.00000
Ag10 Ag 0.80216 0.89901 0.75419 1.00000
Ag11 Ag 0.80216 0.85518 0.10099 1.00000
Ag12 Ag 0.80216 0.24581 0.14482 1.00000
Se1 Se 0.50000 0.00000 0.00000 1.00000
Se2 Se 0.22428 0.89588 0.31763 1.00000
Se3 Se 0.22428 0.42175 0.10412 1.00000
Se4 Se 0.22428 0.68237 0.57825 1.00000
Se5 Se 0.77572 0.10412 0.68237 1.00000
Se6 Se 0.77572 0.57825 0.89588 1.00000
Se7 Se 0.77572 0.31763 0.42175 1.00000
