K2RbInBr4
Alexandria ALEXAlex-ID: agm004775845 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
K3InBr4 KInBr2 RbBr
2022-07-14 08:48:26.728850
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004775845).
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 agm004775845
data_agm004775845
_cell_length_a 4.79173
_cell_length_b 8.30942
_cell_length_c 8.27646
_cell_angle_alpha 70.63502
_cell_angle_beta 89.99972
_cell_angle_gamma 89.99968
_cell_volume 310.89644
_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 0.00000 0.00000 1.00000 1.00000
K2 K 0.50000 0.00000 0.50000 1.00000
Rb1 Rb 0.00000 0.49999 0.50000 1.00000
In1 In 0.50000 0.50000 1.00000 1.00000
Br1 Br 0.00000 0.75529 0.75296 1.00000
Br2 Br 1.00000 0.24471 0.24703 1.00000
Br3 Br 0.50000 0.75861 0.24242 1.00000
Br4 Br 0.50000 0.24140 0.75758 1.00000
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