Nb(SeO3)2
Alexandria ALEXAlex-ID: agm097967313 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2967_spg2
Nb2Se4O13 Nb2Se2O9 Se
2025-04-07 04:39:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097967313).
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 agm097967313
data_agm097967313
_cell_length_a 4.01451
_cell_length_b 4.09792
_cell_length_c 8.81802
_cell_angle_alpha 84.14544
_cell_angle_beta 87.45169
_cell_angle_gamma 92.05857
_cell_volume 144.04787
_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 0.53488 0.43786 0.74259 1.00000
Se1 Se 0.66192 0.98624 0.09073 1.00000
Se2 Se 0.90717 0.29840 0.39180 1.00000
O1 O 0.55263 0.33694 0.98162 1.00000
O2 O 0.59888 0.44611 0.50811 1.00000
O3 O 0.57236 0.87968 0.76030 1.00000
O4 O 0.56518 0.11541 0.27121 1.00000
O5 O 0.07481 0.38486 0.73452 1.00000
O6 O 0.03218 0.61449 0.26913 1.00000
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