NbSnO4
Alexandria ALEXAlex-ID: agm002173564 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_283_spg8
Nb2SnO6 SnO2
2018-06-15 19:42:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002173564).
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 agm002173564
data_agm002173564
_cell_length_a 3.90743
_cell_length_b 6.95320
_cell_length_c 6.36006
_cell_angle_alpha 92.24450
_cell_angle_beta 89.98652
_cell_angle_gamma 106.31678
_cell_volume 165.69957
_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 0.05838 0.12189 0.24984 1.00000
Nb2 Nb 0.91845 0.84014 0.78306 1.00000
Sn1 Sn 0.20460 0.41258 0.79403 1.00000
Sn2 Sn 0.77494 0.55470 0.28603 1.00000
O1 O 0.96635 0.93666 0.50470 1.00000
O2 O 0.16112 0.32580 0.48887 1.00000
O3 O 0.91436 0.83318 0.10642 1.00000
O4 O 0.05853 0.11961 0.89272 1.00000
O5 O 0.21721 0.43851 0.11819 1.00000
O6 O 0.75499 0.51345 0.79241 1.00000
O7 O 0.37535 0.75421 0.76510 1.00000
O8 O 0.57283 0.14928 0.21865 1.00000
Get direct link