B2O3
Alexandria ALEXAlex-ID: agm075697702 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_4467_spg9
B2O3
2025-01-14 08:00:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075697702).
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 agm075697702
data_agm075697702
_cell_length_a 8.18071
_cell_length_b 8.18071
_cell_length_c 4.61094
_cell_angle_alpha 87.51954
_cell_angle_beta 92.48046
_cell_angle_gamma 57.67011
_cell_volume 259.69465
_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 0.87222 0.06686 0.65540 1.00000
B2 B 0.35483 0.55883 0.50460 1.00000
B3 B 0.44117 0.64517 0.00460 1.00000
B4 B 0.93314 0.12778 0.15540 1.00000
B5 B 0.91450 0.42922 0.29111 1.00000
B6 B 0.23854 0.33035 0.55191 1.00000
B7 B 0.57078 0.08550 0.79111 1.00000
B8 B 0.66965 0.76146 0.05191 1.00000
O1 O 0.36868 0.57711 0.80160 1.00000
O2 O 0.96624 0.01828 0.40575 1.00000
O3 O 0.67391 0.14646 0.64050 1.00000
O4 O 0.85354 0.32609 0.14050 1.00000
O5 O 0.67516 0.92330 0.98232 1.00000
O6 O 0.07670 0.32484 0.48232 1.00000
O7 O 0.37364 0.18150 0.74966 1.00000
O8 O 0.81850 0.62636 0.24966 1.00000
O9 O 0.42289 0.63132 0.30160 1.00000
O10 O 0.98172 0.03376 0.90575 1.00000
O11 O 0.53299 0.73692 0.91656 1.00000
O12 O 0.26308 0.46701 0.41656 1.00000
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