Bi2H3
Alexandria ALEXAlex-ID: agm005529640 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_1040_spg43
BiH2 Bi
2023-05-27 00:50:30.825592
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005529640).
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 agm005529640
data_agm005529640
_cell_length_a 3.32841
_cell_length_b 5.91722
_cell_length_c 10.80012
_cell_angle_alpha 87.51614
_cell_angle_beta 81.13589
_cell_angle_gamma 73.66529
_cell_volume 201.68388
_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
Bi1 Bi 0.42768 0.29876 0.10996 1.00000
Bi2 Bi 0.83640 0.70124 0.89004 1.00000
Bi3 Bi 0.28764 0.79876 0.39004 1.00000
Bi4 Bi 0.47644 0.20124 0.60996 1.00000
H1 H 0.38974 0.08522 0.25045 1.00000
H2 H 0.72542 0.91478 0.74955 1.00000
H3 H 0.39020 0.58522 0.24955 1.00000
H4 H 0.22496 0.41478 0.75045 1.00000
H5 H 0.62076 1.00000 0.00000 1.00000
H6 H 0.37076 0.50000 0.50000 1.00000
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