HfTl2(WO4)3
Alexandria ALEXAlex-ID: agm030255727 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_24_spg166
HfTl2(WO4)3
2024-12-05 15:03:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030255727).
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 agm030255727
data_agm030255727
_cell_length_a 7.46972
_cell_length_b 7.46972
_cell_length_c 7.49420
_cell_angle_alpha 60.14956
_cell_angle_beta 119.85044
_cell_angle_gamma 120.37041
_cell_volume 295.50264
_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
Hf1 Hf 0.00565 0.99435 0.99775 1.00000
Tl1 Tl 0.32176 0.67824 0.11866 1.00000
Tl2 Tl 0.58002 0.41998 0.91944 1.00000
W1 W 0.99597 0.00403 0.49153 1.00000
W2 W 0.00300 0.50063 0.50167 1.00000
W3 W 0.49937 0.99700 0.50167 1.00000
O1 O 0.06811 0.30347 0.44132 1.00000
O2 O 0.68128 0.92289 0.79869 1.00000
O3 O 0.07268 0.92732 0.79997 1.00000
O4 O 0.69917 0.30083 0.44179 1.00000
O5 O 0.07711 0.31872 0.79869 1.00000
O6 O 0.69653 0.93189 0.44132 1.00000
O7 O 0.94552 0.68622 0.55186 1.00000
O8 O 0.33542 0.05106 0.19492 1.00000
O9 O 0.94631 0.05369 0.19862 1.00000
O10 O 0.31493 0.68507 0.55274 1.00000
O11 O 0.94894 0.66458 0.19492 1.00000
O12 O 0.31378 0.05448 0.55186 1.00000
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