InBiO2
Alexandria ALEXAlex-ID: agm003123771 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_2248_spg14
In2O3 Bi2O3 Bi
2015-10-19 23:51:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003123771).
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 agm003123771
data_agm003123771
_cell_length_a 12.39147
_cell_length_b 5.36973
_cell_length_c 5.14397
_cell_angle_alpha 90.00000
_cell_angle_beta 113.73169
_cell_angle_gamma 90.00000
_cell_volume 313.33137
_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 0.61137 0.22861 0.57549 1.00000
Bi2 Bi 0.38863 0.77139 0.42451 1.00000
Bi3 Bi 0.88863 0.72861 0.92451 1.00000
Bi4 Bi 0.11137 0.27139 0.07549 1.00000
O1 O 0.94161 0.37535 0.74185 1.00000
O2 O 0.05839 0.62465 0.25815 1.00000
O3 O 0.55839 0.87535 0.75815 1.00000
O4 O 0.44161 0.12465 0.24185 1.00000
O5 O 0.22068 0.48938 0.92224 1.00000
O6 O 0.77932 0.51062 0.07776 1.00000
O7 O 0.27932 0.98938 0.57776 1.00000
O8 O 0.72068 0.01062 0.42224 1.00000
In1 In 0.13035 0.82277 0.66340 1.00000
In2 In 0.86965 0.17723 0.33660 1.00000
In3 In 0.36965 0.32277 0.83660 1.00000
In4 In 0.63035 0.67723 0.16340 1.00000
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