WO5
Alexandria ALEXAlex-ID: agm005285352 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_954_spg4
WO5
2023-05-10 06:51:38.371871
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005285352).
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 agm005285352
data_agm005285352
_cell_length_a 3.82467
_cell_length_b 11.33342
_cell_length_c 9.86170
_cell_angle_alpha 84.16760
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 425.25819
_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
W1 W 0.01241 0.07987 0.38014 1.00000
W2 W 0.51241 0.92013 0.61986 1.00000
W3 W 0.01047 0.92033 0.11995 1.00000
W4 W 0.51047 0.07967 0.88005 1.00000
O1 O 0.01167 0.10852 0.19690 1.00000
O2 O 0.51167 0.89148 0.80310 1.00000
O3 O 0.01117 0.89185 0.30316 1.00000
O4 O 0.51117 0.10815 0.69684 1.00000
O5 O 0.51240 0.03535 0.42293 1.00000
O6 O 0.01240 0.96465 0.57707 1.00000
O7 O 0.51051 0.96476 0.07711 1.00000
O8 O 0.01051 0.03524 0.92289 1.00000
O9 O 0.01379 0.22077 0.43195 1.00000
O10 O 0.51379 0.77923 0.56805 1.00000
O11 O 0.00934 0.77936 0.06834 1.00000
O12 O 0.50934 0.22064 0.93166 1.00000
O13 O 0.17230 0.62016 0.35572 1.00000
O14 O 0.67230 0.37984 0.64428 1.00000
O15 O 0.77858 0.38444 0.15282 1.00000
O16 O 0.27858 0.61556 0.84718 1.00000
O17 O 0.24849 0.51417 0.37545 1.00000
O18 O 0.74849 0.48583 0.62455 1.00000
O19 O 0.70888 0.49029 0.12513 1.00000
O20 O 0.20888 0.50971 0.87487 1.00000
