K5(BiH2)2
Alexandria ALEXAlex-ID: agm005665442 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_382_spg69
KBi2 KH
2023-06-21 14:55:08.289237
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665442).
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 agm005665442
data_agm005665442
_cell_length_a 7.56628
_cell_length_b 7.30814
_cell_length_c 8.09281
_cell_angle_alpha 76.00482
_cell_angle_beta 62.14929
_cell_angle_gamma 58.82447
_cell_volume 338.52170
_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 0.24966 0.50071 0.49999 1.00000
K2 K 0.00001 0.50000 0.99999 1.00000
K3 K 0.50000 0.00000 0.00000 1.00000
K4 K 0.50001 0.50000 0.99999 1.00000
K5 K 0.75037 0.49929 0.49999 1.00000
Bi1 Bi 0.90214 1.00000 0.19568 1.00000
Bi2 Bi 0.09787 0.00000 0.80433 1.00000
H1 H 0.80648 0.63054 0.75645 1.00000
H2 H 0.19353 0.36944 0.24357 1.00000
H3 H 0.56296 0.63057 0.24357 1.00000
H4 H 0.43703 0.36945 0.75644 1.00000
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