Zn2MoWO6
Alexandria ALEXAlex-ID: agm005281263 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2105_spg1
MoWO4 ZnO
2023-04-21 13:47:19.987884
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005281263).
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 agm005281263
data_agm005281263
_cell_length_a 6.09592
_cell_length_b 5.60467
_cell_length_c 6.99483
_cell_angle_alpha 126.41168
_cell_angle_beta 96.87464
_cell_angle_gamma 119.65717
_cell_volume 134.80461
_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 0.61520 0.07896 0.17027 1.00000
Zn2 Zn 0.30470 0.96794 0.54190 1.00000
Mo1 Mo 0.94966 0.27087 0.78784 1.00000
W1 W 0.16356 0.09970 0.09993 1.00000
O1 O 0.96998 0.23660 0.48474 1.00000
O2 O 0.51433 0.72843 0.47975 1.00000
O3 O 0.75991 0.48904 0.77153 1.00000
O4 O 0.18631 0.11265 0.81704 1.00000
O5 O 0.10678 0.07268 0.37007 1.00000
O6 O 0.94639 0.31647 0.11066 1.00000
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