Y5(WO6)2
Alexandria ALEXAlex-ID: agm005682104 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_285_spg12
Y3WO7 Y2WO6 W
2023-06-26 02:37:02.233192
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682104).
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 agm005682104
data_agm005682104
_cell_length_a 5.79071
_cell_length_b 6.86393
_cell_length_c 7.61519
_cell_angle_alpha 106.26587
_cell_angle_beta 90.00000
_cell_angle_gamma 114.94965
_cell_volume 261.01116
_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
Y1 Y 0.30349 0.60699 0.63850 1.00000
Y2 Y 0.31318 0.62637 0.17896 1.00000
Y3 Y 0.00000 0.00000 0.50000 1.00000
Y4 Y 0.68682 0.37363 0.82104 1.00000
Y5 Y 0.69651 0.39301 0.36150 1.00000
W1 W 0.78086 1.00000 1.00000 1.00000
W2 W 0.21914 0.00000 0.00000 1.00000
O1 O 0.99787 0.99573 0.20685 1.00000
O2 O 0.09106 0.66958 0.91452 1.00000
O3 O 0.57851 0.66958 0.91452 1.00000
O4 O 0.09774 0.69059 0.42608 1.00000
O5 O 0.59286 0.69059 0.42608 1.00000
O6 O 0.50003 0.00006 0.81883 1.00000
O7 O 0.49997 0.99994 0.18117 1.00000
O8 O 0.90226 0.30941 0.57392 1.00000
O9 O 0.40714 0.30941 0.57392 1.00000
O10 O 0.90894 0.33042 0.08548 1.00000
O11 O 0.42149 0.33042 0.08548 1.00000
O12 O 0.00213 0.00427 0.79315 1.00000
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