B2O3
Alexandria ALEXAlex-ID: agm075993240 · 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
A2B3_4468_spg2
B2O3
2025-01-19 15:10:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075993240).
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 agm075993240
data_agm075993240
_cell_length_a 6.23572
_cell_length_b 8.60564
_cell_length_c 6.13933
_cell_angle_alpha 103.79680
_cell_angle_beta 88.74597
_cell_angle_gamma 117.73909
_cell_volume 281.65032
_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
B1 B 0.94407 0.71112 0.51282 1.00000
B2 B 0.74351 0.23974 0.17971 1.00000
B3 B 0.32261 0.23662 0.18085 1.00000
B4 B 0.91620 0.70014 0.09049 1.00000
B5 B 0.25649 0.76026 0.82029 1.00000
B6 B 0.05593 0.28888 0.48718 1.00000
B7 B 0.67739 0.76338 0.81915 1.00000
B8 B 0.08380 0.29986 0.90951 1.00000
O1 O 0.88385 0.64215 0.28430 1.00000
O2 O 0.50038 0.18602 0.16192 1.00000
O3 O 0.49962 0.81398 0.83808 1.00000
O4 O 0.11615 0.35785 0.71570 1.00000
O5 O 0.19906 0.22237 0.36868 1.00000
O6 O 0.85824 0.24534 0.98661 1.00000
O7 O 0.14176 0.75466 0.01339 1.00000
O8 O 0.80094 0.77763 0.63132 1.00000
O9 O 0.85765 0.28653 0.39283 1.00000
O10 O 0.72373 0.70364 0.99293 1.00000
O11 O 0.27627 0.29636 0.00707 1.00000
O12 O 0.14235 0.71347 0.60717 1.00000
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