Rb2AgGeCl5
Alexandria ALEXAlex-ID: agm005144600 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_198_spg36
Rb2AgCl3 GeCl4 RbGeCl3 Ag
2023-01-21 11:54:38.262249
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005144600).
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 agm005144600
data_agm005144600
_cell_length_a 4.68319
_cell_length_b 9.37793
_cell_length_c 13.64702
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.45928
_cell_volume 580.37379
_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 0.84926 0.69851 0.82357 1.00000
Rb2 Rb 0.10323 0.20646 0.67092 1.00000
Rb3 Rb 0.15074 0.30149 0.32357 1.00000
Rb4 Rb 0.89677 0.79354 0.17092 1.00000
Ag1 Ag 0.77344 0.54689 0.56842 1.00000
Ag2 Ag 0.22656 0.45311 0.06842 1.00000
Ge1 Ge 0.55114 0.10228 0.93820 1.00000
Ge2 Ge 0.44886 0.89772 0.43820 1.00000
Cl1 Cl 0.35922 0.71843 0.00209 1.00000
Cl2 Cl 0.66392 0.32784 0.85569 1.00000
Cl3 Cl 0.48711 0.97423 0.77671 1.00000
Cl4 Cl 0.28311 0.56622 0.66365 1.00000
Cl5 Cl 0.91927 0.83853 0.52472 1.00000
Cl6 Cl 0.64078 0.28157 0.50209 1.00000
Cl7 Cl 0.33608 0.67216 0.35569 1.00000
Cl8 Cl 0.51289 0.02577 0.27671 1.00000
Cl9 Cl 0.71689 0.43378 0.16365 1.00000
Cl10 Cl 0.08073 0.16147 0.02472 1.00000
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