Bi(BO2)3
Alexandria ALEXAlex-ID: agm005245368 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_2730_spg14
Bi(BO2)3
2024-10-03 21:52:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245368).
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 agm005245368
data_agm005245368
_cell_length_a 6.75415
_cell_length_b 4.45910
_cell_length_c 14.21980
_cell_angle_alpha 84.86819
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 426.54750
_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
Bi1 Bi 0.79821 0.22778 0.43137 1.00000
Bi2 Bi 0.20179 0.77222 0.56863 1.00000
Bi3 Bi 0.29821 0.77222 0.06863 1.00000
Bi4 Bi 0.70179 0.22778 0.93137 1.00000
B1 B 0.18734 0.16811 0.25447 1.00000
B2 B 0.81266 0.83189 0.74553 1.00000
B3 B 0.91921 0.12637 0.14075 1.00000
B4 B 0.31266 0.16811 0.75447 1.00000
B5 B 0.23994 0.33928 0.91281 1.00000
B6 B 0.68734 0.83189 0.24553 1.00000
B7 B 0.08079 0.87363 0.85925 1.00000
B8 B 0.41921 0.87363 0.35925 1.00000
B9 B 0.58079 0.12637 0.64075 1.00000
B10 B 0.76006 0.66072 0.08719 1.00000
B11 B 0.73994 0.66072 0.58719 1.00000
B12 B 0.26006 0.33928 0.41281 1.00000
O1 O 0.18586 0.65418 0.92677 1.00000
O2 O 0.56221 0.84658 0.59414 1.00000
O3 O 0.38070 0.23555 0.66207 1.00000
O4 O 0.43779 0.15342 0.40586 1.00000
O5 O 0.86457 0.66251 0.67340 1.00000
O6 O 0.81414 0.34582 0.07323 1.00000
O7 O 0.18503 0.93089 0.76809 1.00000
O8 O 0.63287 0.76319 0.00440 1.00000
O9 O 0.93779 0.84658 0.09414 1.00000
O10 O 0.36457 0.33749 0.82660 1.00000
O11 O 0.68586 0.34582 0.57323 1.00000
O12 O 0.88070 0.76445 0.83793 1.00000
O13 O 0.13543 0.33749 0.32660 1.00000
O14 O 0.63543 0.66251 0.17340 1.00000
O15 O 0.68503 0.06911 0.73191 1.00000
O16 O 0.13287 0.23681 0.49560 1.00000
O17 O 0.36713 0.23681 0.99560 1.00000
O18 O 0.86713 0.76319 0.50440 1.00000
O19 O 0.11930 0.23555 0.16207 1.00000
O20 O 0.06221 0.15342 0.90586 1.00000
O21 O 0.31497 0.93089 0.26809 1.00000
O22 O 0.81497 0.06911 0.23191 1.00000
O23 O 0.31414 0.65418 0.42677 1.00000
O24 O 0.61930 0.76445 0.33793 1.00000
