Tl3(WO4)2
Alexandria ALEXAlex-ID: agm005646336 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_197_spg166
Tl(WO3)6 Tl2WO4 Tl2O3
2023-06-16 05:08:36.675470
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646336).
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 agm005646336
data_agm005646336
_cell_length_a 6.28741
_cell_length_b 6.28741
_cell_length_c 8.04234
_cell_angle_alpha 66.98979
_cell_angle_beta 66.98979
_cell_angle_gamma 60.00002
_cell_volume 245.68893
_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
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.18790 0.18790 0.43629 1.00000
Tl3 Tl 0.81210 0.81210 0.56371 1.00000
W1 W 0.39305 0.39305 0.82084 1.00000
W2 W 0.60695 0.60695 0.17916 1.00000
O1 O 0.31013 0.31013 0.06960 1.00000
O2 O 0.68987 0.68987 0.93040 1.00000
O3 O 0.26022 0.73959 0.73997 1.00000
O4 O 0.73959 0.26022 0.73997 1.00000
O5 O 0.26022 0.26022 0.73997 1.00000
O6 O 0.26041 0.73978 0.26003 1.00000
O7 O 0.73978 0.26041 0.26003 1.00000
O8 O 0.73978 0.73978 0.26003 1.00000
Get direct link