Nb(BiO3)2
Alexandria ALEXAlex-ID: agm097835403 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2967_spg2
BiO2 NbBiO4
2025-04-07 04:32:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097835403).
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
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# CIF generated by HEAS from Alexandria entry agm097835403
data_agm097835403
_cell_length_a 3.81960
_cell_length_b 4.17093
_cell_length_c 9.05863
_cell_angle_alpha 84.52526
_cell_angle_beta 102.17234
_cell_angle_gamma 90.00121
_cell_volume 140.39775
_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
Nb1 Nb 0.56140 0.68630 0.76147 1.00000
Bi1 Bi 0.22253 0.29306 0.08453 1.00000
Bi2 Bi 0.86971 0.67933 0.37794 1.00000
O1 O 0.67448 0.55847 0.98808 1.00000
O2 O 0.44165 0.66798 0.52225 1.00000
O3 O 0.56392 0.11981 0.76687 1.00000
O4 O 0.29094 0.70118 0.22106 1.00000
O5 O 0.05456 0.60016 0.74786 1.00000
O6 O 0.82082 0.19371 0.27994 1.00000
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