DyWO5
Alexandria ALEXAlex-ID: agm005274393 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_62_spg14
Dy2WO6 WO5 WO3
2023-05-12 03:05:54.372994
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005274393).
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 agm005274393
data_agm005274393
_cell_length_a 12.76669
_cell_length_b 5.32521
_cell_length_c 7.00167
_cell_angle_alpha 62.55387
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 422.43303
_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
Dy1 Dy 0.55649 0.64230 0.21596 1.00000
Dy2 Dy 0.44351 0.35770 0.78404 1.00000
Dy3 Dy 0.05649 0.35770 0.28404 1.00000
Dy4 Dy 0.94351 0.64230 0.71596 1.00000
W1 W 0.86289 0.87865 0.15712 1.00000
W2 W 0.13711 0.12135 0.84288 1.00000
W3 W 0.36289 0.12135 0.34288 1.00000
W4 W 0.63711 0.87865 0.65712 1.00000
O1 O 0.91509 0.50965 0.44334 1.00000
O2 O 0.08491 0.49035 0.55666 1.00000
O3 O 0.41509 0.49035 0.05666 1.00000
O4 O 0.58491 0.50965 0.94334 1.00000
O5 O 0.42992 0.99313 0.15870 1.00000
O6 O 0.57008 0.00687 0.84130 1.00000
O7 O 0.92992 0.00687 0.34130 1.00000
O8 O 0.07008 0.99313 0.65870 1.00000
O9 O 0.93100 0.67533 0.03645 1.00000
O10 O 0.06900 0.32467 0.96355 1.00000
O11 O 0.43100 0.32467 0.46355 1.00000
O12 O 0.56900 0.67533 0.53645 1.00000
O13 O 0.72661 0.78793 0.21068 1.00000
O14 O 0.27339 0.21207 0.78932 1.00000
O15 O 0.22661 0.21207 0.28932 1.00000
O16 O 0.77339 0.78793 0.71068 1.00000
O17 O 0.14056 0.78193 0.08095 1.00000
O18 O 0.85944 0.21807 0.91905 1.00000
O19 O 0.64056 0.21807 0.41905 1.00000
O20 O 0.35944 0.78193 0.58095 1.00000
