NbZn2O6
Alexandria ALEXAlex-ID: agm097108685 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3073_spg38
Nb2ZnO6 ZnO6 ZnO
2025-04-07 04:54:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097108685).
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 agm097108685
data_agm097108685
_cell_length_a 3.70857
_cell_length_b 4.05623
_cell_length_c 8.87323
_cell_angle_alpha 89.15171
_cell_angle_beta 90.05060
_cell_angle_gamma 90.00755
_cell_volume 133.46362
_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 0.44438 0.38614 0.75469 1.00000
Zn1 Zn 0.94569 0.45905 0.06067 1.00000
Zn2 Zn 0.94393 0.45709 0.45621 1.00000
O1 O 0.44533 0.44571 0.98714 1.00000
O2 O 0.44400 0.43430 0.51107 1.00000
O3 O 0.44416 0.94100 0.76838 1.00000
O4 O 0.94380 0.11473 0.24883 1.00000
O5 O 0.94430 0.47767 0.71434 1.00000
O6 O 0.94440 0.78431 0.24867 1.00000
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