Sb2WO6
Alexandria ALEXAlex-ID: agm003222964 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_244_spg4
Sb2WO6
2021-12-07 11:42:23.985285
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003222964).
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 agm003222964
data_agm003222964
_cell_length_a 5.05799
_cell_length_b 5.62212
_cell_length_c 9.38550
_cell_angle_alpha 84.58573
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 265.70132
_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
Sb1 Sb 0.44821 0.39137 0.16629 1.00000
Sb2 Sb 0.05776 0.89067 0.16591 1.00000
Sb3 Sb 0.94821 0.60863 0.83371 1.00000
Sb4 Sb 0.55776 0.10933 0.83409 1.00000
W1 W 0.01453 0.24868 0.50254 1.00000
W2 W 0.51453 0.75132 0.49746 1.00000
O1 O 0.76561 0.52018 0.44475 1.00000
O2 O 0.74098 0.02120 0.44442 1.00000
O3 O 0.24098 0.97880 0.55558 1.00000
O4 O 0.26561 0.47982 0.55525 1.00000
O5 O 0.86151 0.23423 0.69104 1.00000
O6 O 0.14267 0.26698 0.30889 1.00000
O7 O 0.64267 0.73302 0.69111 1.00000
O8 O 0.36151 0.76577 0.30896 1.00000
O9 O 0.18668 0.61133 0.05925 1.00000
O10 O 0.32097 0.11072 0.06056 1.00000
O11 O 0.68668 0.38867 0.94075 1.00000
O12 O 0.82097 0.88928 0.93944 1.00000
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