Sn(WO4)2
Alexandria ALEXAlex-ID: agm005508444 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_159_spg2
SnO2 WO3
2023-03-15 10:59:18.060882
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508444).
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 agm005508444
data_agm005508444
_cell_length_a 5.07369
_cell_length_b 5.49799
_cell_length_c 6.81012
_cell_angle_alpha 110.65002
_cell_angle_beta 91.09049
_cell_angle_gamma 104.64430
_cell_volume 170.75661
_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
Sn1 Sn 0.50000 0.00000 0.00000 1.00000
W1 W 0.24466 0.52979 0.18316 1.00000
W2 W 0.75534 0.47021 0.81684 1.00000
O1 O 0.16295 0.71899 0.42354 1.00000
O2 O 0.36581 0.26932 0.24505 1.00000
O3 O 0.12202 0.70361 0.97256 1.00000
O4 O 0.41188 0.24013 0.84410 1.00000
O5 O 0.63419 0.73068 0.75495 1.00000
O6 O 0.83705 0.28101 0.57646 1.00000
O7 O 0.87798 0.29639 0.02744 1.00000
O8 O 0.58812 0.75987 0.15590 1.00000
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