Y2WO6
Alexandria ALEXAlex-ID: agm005229326 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_121_spg19
Y2WO6
2024-10-09 21:52:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005229326).
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 agm005229326
data_agm005229326
_cell_length_a 5.29231
_cell_length_b 9.18163
_cell_length_c 10.02473
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 487.12165
_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 0.98304 0.60350 0.53526 1.00000
Y2 Y 0.48304 0.89650 0.46474 1.00000
Y3 Y 0.01696 0.10350 0.96474 1.00000
Y4 Y 0.51696 0.39650 0.03526 1.00000
Y5 Y 0.46047 0.78123 0.87026 1.00000
Y6 Y 0.96047 0.71877 0.12974 1.00000
Y7 Y 0.03953 0.21877 0.37026 1.00000
Y8 Y 0.53953 0.28123 0.62974 1.00000
W1 W 0.96207 0.99573 0.65141 1.00000
W2 W 0.46207 0.50427 0.34859 1.00000
W3 W 0.03793 0.49573 0.84859 1.00000
W4 W 0.53793 0.00427 0.15141 1.00000
O1 O 0.75470 0.08826 0.50506 1.00000
O2 O 0.25470 0.41174 0.49494 1.00000
O3 O 0.24530 0.58826 0.99494 1.00000
O4 O 0.74530 0.91174 0.00506 1.00000
O5 O 0.23278 0.11541 0.56874 1.00000
O6 O 0.73278 0.38459 0.43126 1.00000
O7 O 0.76722 0.61541 0.93126 1.00000
O8 O 0.26722 0.88459 0.06874 1.00000
O9 O 0.08925 0.84314 0.53174 1.00000
O10 O 0.58925 0.65686 0.46826 1.00000
O11 O 0.91075 0.34314 0.96826 1.00000
O12 O 0.41075 0.15686 0.03174 1.00000
O13 O 0.69190 0.85905 0.26326 1.00000
O14 O 0.19190 0.64095 0.73674 1.00000
O15 O 0.30810 0.35905 0.23674 1.00000
O16 O 0.80810 0.14095 0.76326 1.00000
O17 O 0.32666 0.04751 0.29888 1.00000
O18 O 0.82666 0.45249 0.70112 1.00000
O19 O 0.68119 0.86302 0.68061 1.00000
O20 O 0.17334 0.95249 0.79888 1.00000
O21 O 0.81881 0.13698 0.18061 1.00000
O22 O 0.31881 0.36302 0.81939 1.00000
O23 O 0.18119 0.63698 0.31939 1.00000
O24 O 0.67334 0.54751 0.20112 1.00000
