LiBiB2O5
Alexandria ALEXAlex-ID: agm005233261 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_92_spg4
Bi4B2O9 LiBO2 Li3B7O12
2023-05-07 14:22:07.787434
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005233261).
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 agm005233261
data_agm005233261
_cell_length_a 4.40036
_cell_length_b 5.38446
_cell_length_c 7.58214
_cell_angle_alpha 84.43531
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 178.80099
_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
Li1 Li 0.18011 0.84075 0.10999 1.00000
Li2 Li 0.68011 0.15925 0.89001 1.00000
Bi1 Bi 0.15309 0.86593 0.70380 1.00000
Bi2 Bi 0.65309 0.13407 0.29620 1.00000
B1 B 0.71171 0.61058 0.93362 1.00000
B2 B 0.15551 0.56856 0.40745 1.00000
B3 B 0.65551 0.43144 0.59255 1.00000
B4 B 0.21171 0.38942 0.06638 1.00000
O1 O 0.83798 0.84657 0.95901 1.00000
O2 O 0.18049 0.84533 0.37082 1.00000
O3 O 0.77431 0.57931 0.73492 1.00000
O4 O 0.37685 0.59876 0.96099 1.00000
O5 O 0.82360 0.50549 0.42638 1.00000
O6 O 0.32360 0.49451 0.57362 1.00000
O7 O 0.87685 0.40124 0.03901 1.00000
O8 O 0.27431 0.42069 0.26508 1.00000
O9 O 0.68049 0.15467 0.62918 1.00000
O10 O 0.33798 0.15343 0.04099 1.00000
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