K2PtBr6
Alexandria ALEXAlex-ID: agm005502404 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_605_spg71
K2PtBr6
2023-03-19 13:34:29.077614
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005502404).
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 agm005502404
data_agm005502404
_cell_length_a 8.63772
_cell_length_b 8.63772
_cell_length_c 8.63772
_cell_angle_alpha 128.71273
_cell_angle_beta 130.88796
_cell_angle_gamma 73.73992
_cell_volume 370.90655
_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 0.32352 0.32352 0.00000 1.00000
K2 K 0.67648 0.67648 0.00000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.81593 0.50000 0.31593 1.00000
Br2 Br 0.11802 0.87537 0.24265 1.00000
Br3 Br 0.36728 0.12463 0.24265 1.00000
Br4 Br 0.18407 0.50000 0.68407 1.00000
Br5 Br 0.63272 0.87537 0.75735 1.00000
Br6 Br 0.88198 0.12463 0.75735 1.00000
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