NbBiO4
Alexandria ALEXAlex-ID: agm005759285 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3078_spg15
NbBiO4
2023-07-30 22:36:23.832762
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759285).
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 agm005759285
data_agm005759285
_cell_length_a 5.57348
_cell_length_b 6.36909
_cell_length_c 8.24074
_cell_angle_alpha 123.63652
_cell_angle_beta 121.97569
_cell_angle_gamma 60.31220
_cell_volume 197.97202
_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 0.31691 0.06691 0.13381 1.00000
Nb2 Nb 0.68309 0.93309 0.86619 1.00000
Bi1 Bi 0.42015 0.67015 0.34030 1.00000
Bi2 Bi 0.57985 0.32985 0.65970 1.00000
O1 O 0.90846 0.14496 0.90782 1.00000
O2 O 0.77240 0.58629 0.64888 1.00000
O3 O 0.49937 0.76286 0.90782 1.00000
O4 O 0.37647 0.06258 0.64888 1.00000
O5 O 0.62353 0.93742 0.35112 1.00000
O6 O 0.50063 0.23714 0.09218 1.00000
O7 O 0.22760 0.41371 0.35112 1.00000
O8 O 0.09154 0.85504 0.09218 1.00000
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