Ti(WO4)2
Alexandria ALEXAlex-ID: agm005508557 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_159_spg2
TiO2 WO3
2023-03-15 11:03:15.453738
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508557).
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 agm005508557
data_agm005508557
_cell_length_a 4.97352
_cell_length_b 5.23255
_cell_length_c 6.97836
_cell_angle_alpha 109.44069
_cell_angle_beta 90.90104
_cell_angle_gamma 104.84796
_cell_volume 164.51431
_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
Ti1 Ti 0.50000 0.00000 0.00000 1.00000
W1 W 0.24588 0.52798 0.17647 1.00000
W2 W 0.75412 0.47202 0.82353 1.00000
O1 O 0.16259 0.72308 0.40860 1.00000
O2 O 0.37345 0.25515 0.23371 1.00000
O3 O 0.13054 0.71404 0.96747 1.00000
O4 O 0.40330 0.23036 0.85230 1.00000
O5 O 0.62655 0.74485 0.76629 1.00000
O6 O 0.83741 0.27692 0.59140 1.00000
O7 O 0.86946 0.28596 0.03253 1.00000
O8 O 0.59670 0.76964 0.14770 1.00000
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