B2O3
Alexandria ALEXAlex-ID: agm080959141 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_4572_spg1
B2O3
2025-03-10 06:11:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080959141).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm080959141
data_agm080959141
_cell_length_a 4.41226
_cell_length_b 7.18688
_cell_length_c 7.98391
_cell_angle_alpha 115.02806
_cell_angle_beta 101.47401
_cell_angle_gamma 89.26168
_cell_volume 224.09038
_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 0.66106 0.84561 0.89624 1.00000
B2 B 0.78451 0.64456 0.57635 1.00000
B3 B 0.51115 0.18510 0.10043 1.00000
B4 B 0.78973 0.25367 0.42500 1.00000
B5 B 0.27312 0.14811 0.62038 1.00000
B6 B 0.73135 0.95560 0.51374 1.00000
B7 B 0.50752 0.45998 0.97986 1.00000
B8 B 0.02561 0.64962 0.00986 1.00000
O1 O 0.90699 0.83851 0.02538 1.00000
O2 O 0.47804 0.37473 0.11478 1.00000
O3 O 0.43025 0.99030 0.51504 1.00000
O4 O 0.33869 0.64319 0.01853 1.00000
O5 O 0.61083 0.69340 0.70839 1.00000
O6 O 0.89871 0.45231 0.50490 1.00000
O7 O 0.48902 0.01313 0.93034 1.00000
O8 O 0.35381 0.30629 0.77843 1.00000
O9 O 0.92898 0.11819 0.51504 1.00000
O10 O 0.83462 0.48978 0.98563 1.00000
O11 O 0.87099 0.78866 0.51598 1.00000
O12 O 0.57694 0.15112 0.26680 1.00000
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