AlCu(WO4)2
Alexandria ALEXAlex-ID: agm005268095 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
AlCuO2 WO3
2023-05-05 08:22:02.916638
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005268095).
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 agm005268095
data_agm005268095
_cell_length_a 5.07829
_cell_length_b 5.60376
_cell_length_c 5.68598
_cell_angle_alpha 109.51820
_cell_angle_beta 90.82556
_cell_angle_gamma 113.87177
_cell_volume 137.34658
_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
Al1 Al 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.50000 0.00000 0.00000 1.00000
W1 W 0.25049 0.50130 0.18507 1.00000
W2 W 0.74951 0.49870 0.81493 1.00000
O1 O 0.21381 0.78333 0.43956 1.00000
O2 O 0.22639 0.24288 0.32542 1.00000
O3 O 0.15688 0.69999 0.95635 1.00000
O4 O 0.31946 0.28700 0.81422 1.00000
O5 O 0.77361 0.75712 0.67458 1.00000
O6 O 0.78619 0.21667 0.56044 1.00000
O7 O 0.84312 0.30001 0.04365 1.00000
O8 O 0.68054 0.71300 0.18578 1.00000
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