B2O3
Alexandria ALEXAlex-ID: agm090194754 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_4604_spg1
B2O3
2025-03-18 13:25:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090194754).
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 agm090194754
data_agm090194754
_cell_length_a 4.74242
_cell_length_b 6.53208
_cell_length_c 10.69576
_cell_angle_alpha 69.48700
_cell_angle_beta 80.63139
_cell_angle_gamma 79.63371
_cell_volume 303.46398
_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 0.61836 0.92273 0.70674 1.00000
B2 B 0.59823 0.25442 0.78277 1.00000
B3 B 0.32170 0.80636 0.92979 1.00000
B4 B 0.08220 0.20672 0.84791 1.00000
B5 B 0.30682 0.27622 0.32408 1.00000
B6 B 0.27470 0.67853 0.17911 1.00000
B7 B 0.67623 0.96979 0.46339 1.00000
B8 B 0.08000 0.98814 0.27626 1.00000
O1 O 0.69619 0.85457 0.59711 1.00000
O2 O 0.34109 0.65169 0.05485 1.00000
O3 O 0.86595 0.89704 0.37054 1.00000
O4 O 0.14950 0.19204 0.26249 1.00000
O5 O 0.81680 0.32463 0.81976 1.00000
O6 O 0.10189 0.98157 0.90721 1.00000
O7 O 0.66466 0.12921 0.69823 1.00000
O8 O 0.46413 0.14313 0.42727 1.00000
O9 O 0.21934 0.88853 0.18590 1.00000
O10 O 0.29491 0.49996 0.29342 1.00000
O11 O 0.31686 0.31790 0.82342 1.00000
O12 O 0.51469 0.77621 0.82571 1.00000
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