InBiO2
Alexandria ALEXAlex-ID: agm003123781 · 空间群: Pna2_1 (#33)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_2251_spg33
In2O3 Bi2O3 Bi
2015-10-19 19:21:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003123781).
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 agm003123781
data_agm003123781
_cell_length_a 5.57741
_cell_length_b 11.21162
_cell_length_c 5.23962
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 327.64279
_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 0.10794 0.87186 0.00114 1.00000
Bi2 Bi 0.89206 0.12814 0.50114 1.00000
Bi3 Bi 0.39206 0.37186 0.50114 1.00000
Bi4 Bi 0.60794 0.62814 0.00114 1.00000
O1 O 0.45224 0.80389 0.11917 1.00000
O2 O 0.54776 0.19611 0.61917 1.00000
O3 O 0.04776 0.30389 0.61917 1.00000
O4 O 0.95224 0.69611 0.11917 1.00000
O5 O 0.18754 0.82237 0.61817 1.00000
O6 O 0.81246 0.17763 0.11817 1.00000
O7 O 0.31246 0.32237 0.11817 1.00000
O8 O 0.68754 0.67763 0.61817 1.00000
In1 In 0.93296 0.36770 0.01132 1.00000
In2 In 0.06704 0.63230 0.51132 1.00000
In3 In 0.56704 0.86770 0.51132 1.00000
In4 In 0.43296 0.13230 0.01132 1.00000
获取直接链接