B2O3
Alexandria ALEXAlex-ID: agm077120601 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_4472_spg8
B2O3
2025-01-19 15:16:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077120601).
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 agm077120601
data_agm077120601
_cell_length_a 7.29322
_cell_length_b 7.07122
_cell_length_c 7.78098
_cell_angle_alpha 116.79789
_cell_angle_beta 97.69600
_cell_angle_gamma 119.04013
_cell_volume 279.33120
_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 0.80832 0.71448 0.42830 1.00000
B2 B 0.00338 0.71995 0.18228 1.00000
B3 B 0.51102 0.98647 0.91260 1.00000
B4 B 0.66009 0.27997 0.34798 1.00000
B5 B 0.61052 0.68850 0.86052 1.00000
B6 B 0.00192 0.01566 0.18122 1.00000
B7 B 0.80707 0.07101 0.42678 1.00000
B8 B 0.61417 0.33101 0.85877 1.00000
O1 O 0.69720 0.52297 0.46325 1.00000
O2 O 0.46810 0.07238 0.79554 1.00000
O3 O 0.46128 0.73704 0.80329 1.00000
O4 O 0.85430 0.48163 0.97889 1.00000
O5 O 0.97283 0.72834 0.35485 1.00000
O6 O 0.59191 0.14182 0.13150 1.00000
O7 O 0.51646 0.43720 0.81136 1.00000
O8 O 0.97167 0.14949 0.35342 1.00000
O9 O 0.74620 0.88007 0.46399 1.00000
O10 O 0.15860 0.95967 0.20855 1.00000
O11 O 0.85077 0.89858 0.97710 1.00000
O12 O 0.69419 0.18374 0.45981 1.00000
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