Cs3(WO4)2
Alexandria ALEXAlex-ID: agm005646488 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_4_spg166
Cs(WO3)6 Cs2WO4 CsO12
2023-06-16 04:11:36.591327
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646488).
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 agm005646488
data_agm005646488
_cell_length_a 6.70467
_cell_length_b 6.70467
_cell_length_c 8.76317
_cell_angle_alpha 67.50834
_cell_angle_beta 67.50834
_cell_angle_gamma 59.99999
_cell_volume 306.06274
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.19881 0.19881 0.40358 1.00000
Cs3 Cs 0.80119 0.80119 0.59642 1.00000
W1 W 0.40607 0.40607 0.78180 1.00000
W2 W 0.59393 0.59393 0.21820 1.00000
O1 O 0.32884 0.32884 0.01347 1.00000
O2 O 0.67116 0.67116 0.98653 1.00000
O3 O 0.28329 0.72761 0.70581 1.00000
O4 O 0.72761 0.28329 0.70581 1.00000
O5 O 0.28329 0.28329 0.70581 1.00000
O6 O 0.27239 0.71671 0.29419 1.00000
O7 O 0.71671 0.27239 0.29419 1.00000
O8 O 0.71671 0.71671 0.29419 1.00000
Get direct link