GdWO5
Alexandria ALEXAlex-ID: agm005258402 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_62_spg14
Gd2WO6 WO5 WO3
2023-05-12 04:38:44.872455
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005258402).
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 agm005258402
data_agm005258402
_cell_length_a 12.87892
_cell_length_b 5.36248
_cell_length_c 7.13780
_cell_angle_alpha 63.21090
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 440.04880
_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
Gd1 Gd 0.55432 0.63550 0.21188 1.00000
Gd2 Gd 0.44568 0.36450 0.78812 1.00000
Gd3 Gd 0.05432 0.36450 0.28812 1.00000
Gd4 Gd 0.94568 0.63550 0.71188 1.00000
W1 W 0.85980 0.86944 0.14272 1.00000
W2 W 0.14020 0.13056 0.85728 1.00000
W3 W 0.35980 0.13056 0.35728 1.00000
W4 W 0.64020 0.86944 0.64272 1.00000
O1 O 0.90518 0.54822 0.42105 1.00000
O2 O 0.09482 0.45178 0.57895 1.00000
O3 O 0.40518 0.45178 0.07895 1.00000
O4 O 0.59482 0.54822 0.92105 1.00000
O5 O 0.43503 0.00383 0.17647 1.00000
O6 O 0.56497 0.99617 0.82353 1.00000
O7 O 0.93503 0.99617 0.32353 1.00000
O8 O 0.06497 0.00383 0.67647 1.00000
O9 O 0.91731 0.64200 0.03685 1.00000
O10 O 0.08269 0.35800 0.96315 1.00000
O11 O 0.41731 0.35800 0.46315 1.00000
O12 O 0.58269 0.64200 0.53685 1.00000
O13 O 0.72165 0.82059 0.17614 1.00000
O14 O 0.27835 0.17941 0.82386 1.00000
O15 O 0.22165 0.17941 0.32386 1.00000
O16 O 0.77835 0.82059 0.67614 1.00000
O17 O 0.12536 0.79654 0.09080 1.00000
O18 O 0.87464 0.20346 0.90920 1.00000
O19 O 0.62536 0.20346 0.40920 1.00000
O20 O 0.37464 0.79654 0.59080 1.00000
