ZnWO2
Alexandria ALEXAlex-ID: agm005250087 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7073_spg2
WO2 W ZnO
2023-05-07 09:31:17.490432
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005250087).
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 agm005250087
data_agm005250087
_cell_length_a 3.26692
_cell_length_b 8.13878
_cell_length_c 9.69395
_cell_angle_alpha 65.74430
_cell_angle_beta 89.81186
_cell_angle_gamma 90.85595
_cell_volume 234.95724
_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
Zn1 Zn 0.76566 0.08806 0.65085 1.00000
Zn2 Zn 0.23434 0.91194 0.34915 1.00000
Zn3 Zn 0.74552 0.17851 0.29134 1.00000
Zn4 Zn 0.25448 0.82149 0.70866 1.00000
W1 W 0.74767 0.55371 0.62836 1.00000
W2 W 0.25845 0.19372 0.96299 1.00000
W3 W 0.74155 0.80628 0.03701 1.00000
W4 W 0.25233 0.44629 0.37164 1.00000
O1 O 0.75915 0.57437 0.22377 1.00000
O2 O 0.26347 0.74396 0.93681 1.00000
O3 O 0.73653 0.25604 0.06319 1.00000
O4 O 0.24085 0.42563 0.77623 1.00000
O5 O 0.25414 0.64771 0.46360 1.00000
O6 O 0.76223 0.08269 0.87822 1.00000
O7 O 0.74586 0.35229 0.53640 1.00000
O8 O 0.23777 0.91731 0.12178 1.00000
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