CuWO4
Alexandria ALEXAlex-ID: agm005231396 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2018_spg30
WO3 CuO
2023-05-05 07:25:15.861505
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005231396).
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 agm005231396
data_agm005231396
_cell_length_a 5.85823
_cell_length_b 4.68529
_cell_length_c 4.98748
_cell_angle_alpha 86.84372
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 136.68639
_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
Cu1 Cu 0.66364 0.50000 0.25000 1.00000
Cu2 Cu 0.33636 0.50000 0.75000 1.00000
W1 W 0.17022 0.00000 0.25000 1.00000
W2 W 0.82978 0.00000 0.75000 1.00000
O1 O 0.36922 0.26093 0.08379 1.00000
O2 O 0.36922 0.73907 0.41621 1.00000
O3 O 0.63078 0.73907 0.91621 1.00000
O4 O 0.63078 0.26093 0.58379 1.00000
O5 O 0.89263 0.21808 0.06333 1.00000
O6 O 0.89263 0.78192 0.43667 1.00000
O7 O 0.10737 0.78192 0.93667 1.00000
O8 O 0.10737 0.21808 0.56333 1.00000
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