Na3Ni2SnO6
Alexandria ALEXAlex-ID: agm034313609 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
NaNiO2 Na2NiSnO4
2025-02-28 03:53:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034313609).
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 agm034313609
data_agm034313609
_cell_length_a 7.22677
_cell_length_b 7.22677
_cell_length_c 6.47142
_cell_angle_alpha 74.02052
_cell_angle_beta 105.97948
_cell_angle_gamma 155.30379
_cell_volume 135.48616
_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 0.00000 0.00000 0.00000 1.00000
Na2 Na 0.32612 0.67388 0.67366 1.00000
Na3 Na 0.67388 0.32612 0.32634 1.00000
Ni1 Ni 0.32983 0.67017 0.15690 1.00000
Ni2 Ni 0.67017 0.32983 0.84310 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
O1 O 0.84565 0.15435 0.38659 1.00000
O2 O 0.17579 0.82421 0.05123 1.00000
O3 O 0.15435 0.84565 0.61341 1.00000
O4 O 0.50269 0.49731 0.72329 1.00000
O5 O 0.49731 0.50269 0.27671 1.00000
O6 O 0.82421 0.17579 0.94877 1.00000
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