NaBi(NO3)2
Alexandria ALEXAlex-ID: agm004945461 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_487_spg15
Bi5NO10 NaNO3 N2O NO2
2022-07-27 21:50:44.903061
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004945461).
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 agm004945461
data_agm004945461
_cell_length_a 6.43386
_cell_length_b 6.43386
_cell_length_c 7.03810
_cell_angle_alpha 102.76692
_cell_angle_beta 102.76692
_cell_angle_gamma 99.24906
_cell_volume 270.30229
_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
Na1 Na 0.16619 0.83381 0.25000 1.00000
Na2 Na 0.83381 0.16619 0.75000 1.00000
Bi1 Bi 0.62195 0.37805 0.25000 1.00000
Bi2 Bi 0.37805 0.62195 0.75000 1.00000
N1 N 0.33250 0.12800 0.78044 1.00000
N2 N 0.87200 0.66750 0.71956 1.00000
N3 N 0.66750 0.87200 0.21956 1.00000
N4 N 0.12800 0.33250 0.28044 1.00000
O1 O 0.94411 0.33236 0.14719 1.00000
O2 O 0.66764 0.05589 0.35281 1.00000
O3 O 0.05589 0.66764 0.85281 1.00000
O4 O 0.33236 0.94411 0.64719 1.00000
O5 O 0.24181 0.19100 0.21740 1.00000
O6 O 0.80900 0.75819 0.28260 1.00000
O7 O 0.75819 0.80900 0.78260 1.00000
O8 O 0.19100 0.24181 0.71740 1.00000
O9 O 0.25074 0.53471 0.38823 1.00000
O10 O 0.46529 0.74926 0.11177 1.00000
O11 O 0.74926 0.46529 0.61177 1.00000
O12 O 0.53471 0.25074 0.88823 1.00000
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