NbBiO4
Alexandria ALEXAlex-ID: agm003733700 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_25_spg36
NbBiO4
2022-04-18 19:37:39.486572
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003733700).
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 agm003733700
data_agm003733700
_cell_length_a 3.95094
_cell_length_b 5.73125
_cell_length_c 8.00013
_cell_angle_alpha 90.00000
_cell_angle_beta 104.29590
_cell_angle_gamma 90.00000
_cell_volume 175.54397
_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 0.58250 0.78957 0.16500 1.00000
Nb2 Nb 0.41750 0.28957 0.83500 1.00000
Bi1 Bi 0.80496 0.83924 0.60991 1.00000
Bi2 Bi 0.19504 0.33924 0.39009 1.00000
O1 O 0.90571 0.24226 0.81142 1.00000
O2 O 0.09429 0.74226 0.18858 1.00000
O3 O 0.48389 0.97575 0.96779 1.00000
O4 O 0.51611 0.47575 0.03221 1.00000
O5 O 0.69900 0.55714 0.39801 1.00000
O6 O 0.30100 0.05714 0.60199 1.00000
O7 O 0.67467 0.02944 0.34934 1.00000
O8 O 0.32533 0.52945 0.65066 1.00000
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