KPtBr
Alexandria ALEXAlex-ID: agm003083364 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_1609_spg38
Pt KBr
2023-03-26 01:17:58.229580
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003083364).
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 agm003083364
data_agm003083364
_cell_length_a 16.77011
_cell_length_b 8.46034
_cell_length_c 8.46034
_cell_angle_alpha 145.58303
_cell_angle_beta 156.40841
_cell_angle_gamma 23.59159
_cell_volume 191.43203
_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 0.92609 0.77994 0.22006 1.00000
K2 K 0.91335 0.53029 0.46971 1.00000
Br1 Br 0.42566 0.83528 0.16472 1.00000
Br2 Br 0.41396 0.54233 0.45767 1.00000
Pt1 Pt 0.42030 0.68913 0.31087 1.00000
Pt2 Pt 0.41979 0.15637 0.84363 1.00000
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