Bi2B2O7
Alexandria ALEXAlex-ID: agm005231696 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_1074_spg2
Bi3B5O12 BiBO3 BiO4
2023-05-08 22:24:53.060523
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005231696).
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 agm005231696
data_agm005231696
_cell_length_a 4.66382
_cell_length_b 8.43015
_cell_length_c 9.06046
_cell_angle_alpha 115.72251
_cell_angle_beta 90.25379
_cell_angle_gamma 97.71637
_cell_volume 317.23614
_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 0.17794 0.67265 0.43230 1.00000
Bi2 Bi 0.35187 0.11559 0.88475 1.00000
Bi3 Bi 0.64813 0.88441 0.11525 1.00000
Bi4 Bi 0.82206 0.32735 0.56770 1.00000
B1 B 0.18656 0.06378 0.37189 1.00000
B2 B 0.32485 0.67444 0.78369 1.00000
B3 B 0.67515 0.32556 0.21631 1.00000
B4 B 0.81344 0.93622 0.62811 1.00000
O1 O 0.11667 0.94485 0.62891 1.00000
O2 O 0.34225 0.56057 0.87146 1.00000
O3 O 0.15578 0.60078 0.63471 1.00000
O4 O 0.33063 0.85852 0.89695 1.00000
O5 O 0.34284 0.21981 0.48218 1.00000
O6 O 0.27438 0.90899 0.25547 1.00000
O7 O 0.39108 0.39555 0.21091 1.00000
O8 O 0.60892 0.60445 0.78909 1.00000
O9 O 0.72562 0.09101 0.74453 1.00000
O10 O 0.65716 0.78019 0.51782 1.00000
O11 O 0.66937 0.14148 0.10305 1.00000
O12 O 0.84422 0.39922 0.36529 1.00000
O13 O 0.65775 0.43943 0.12854 1.00000
O14 O 0.88333 0.05515 0.37109 1.00000
