K2Rb2SnBr6
Alexandria ALEXAlex-ID: agm033446261 · 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
AB2C2D6_25_spg12
K6SnBr8 Rb6SnBr8 RbSnBr3
2024-11-10 04:15:59.925736
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033446261).
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 agm033446261
data_agm033446261
_cell_length_a 8.05246
_cell_length_b 8.05246
_cell_length_c 8.41763
_cell_angle_alpha 80.24723
_cell_angle_beta 80.24723
_cell_angle_gamma 117.59324
_cell_volume 457.14582
_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
K1 K 0.66146 0.33854 0.00000 1.00000
K2 K 0.33854 0.66146 0.00000 1.00000
Rb1 Rb 0.17523 0.82477 0.50000 1.00000
Rb2 Rb 0.82477 0.17523 0.50000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.77779 0.77779 0.78011 1.00000
Br2 Br 0.38108 0.06571 0.78085 1.00000
Br3 Br 0.22221 0.22221 0.21989 1.00000
Br4 Br 0.06571 0.38108 0.78085 1.00000
Br5 Br 0.61892 0.93429 0.21915 1.00000
Br6 Br 0.93429 0.61892 0.21915 1.00000
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