Rb2AgBr4
Alexandria ALEXAlex-ID: agm017249803 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_115_spg139
RbAgBr3 RbBr
2025-04-17 14:08:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017249803).
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 agm017249803
data_agm017249803
_cell_length_a 7.18067
_cell_length_b 7.18067
_cell_length_c 7.18197
_cell_angle_alpha 65.60528
_cell_angle_beta 114.39472
_cell_angle_gamma 79.98511
_cell_volume 279.39990
_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 0.74997 0.74997 0.50000 1.00000
Rb2 Rb 0.25003 0.25003 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.76180 0.76180 0.00000 1.00000
Br2 Br 0.23820 0.23820 0.00000 1.00000
Br3 Br 0.23799 0.76201 0.47601 1.00000
Br4 Br 0.76201 0.23799 0.52399 1.00000
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