In4Bi2H3
Alexandria ALEXAlex-ID: agm005659263 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_957_spg2
BiH2 In Bi
2023-06-27 04:56:33.050361
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659263).
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 agm005659263
data_agm005659263
_cell_length_a 7.42339
_cell_length_b 5.24807
_cell_length_c 9.39524
_cell_angle_alpha 53.80531
_cell_angle_beta 115.59028
_cell_angle_gamma 135.11766
_cell_volume 208.38220
_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
In1 In 0.78789 0.42191 0.16157 1.00000
In2 In 0.21211 0.57809 0.83843 1.00000
In3 In 0.76842 0.55160 0.76991 1.00000
In4 In 0.23158 0.44840 0.23009 1.00000
Bi1 Bi 0.69187 0.47834 0.41890 1.00000
Bi2 Bi 0.30813 0.52166 0.58110 1.00000
H1 H 0.55677 0.93220 0.91332 1.00000
H2 H 0.00000 0.00000 0.00000 1.00000
H3 H 0.44323 0.06780 0.08668 1.00000
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