SrTaWO6
Alexandria ALEXAlex-ID: agm005102041 · Space group: P4_2nm (#102)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_13_spg102
SrWO4 SrTa2O6 WO2
2022-12-18 04:02:46.699394
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005102041).
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 agm005102041
data_agm005102041
_cell_length_a 5.00489
_cell_length_b 5.00489
_cell_length_c 9.87278
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 247.30246
_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
Sr1 Sr 0.50000 0.50000 0.49677 1.00000
Sr2 Sr 0.00000 0.00000 0.99677 1.00000
Ta1 Ta 0.50000 0.50000 0.83532 1.00000
Ta2 Ta 0.00000 0.00000 0.33532 1.00000
W1 W 0.50000 0.50000 0.16532 1.00000
W2 W 0.00000 0.00000 0.66532 1.00000
O1 O 0.16820 0.83180 0.49927 1.00000
O2 O 0.83180 0.16820 0.49927 1.00000
O3 O 0.33180 0.33180 0.99927 1.00000
O4 O 0.66820 0.66820 0.99927 1.00000
O5 O 0.22880 0.77120 0.19850 1.00000
O6 O 0.77120 0.22880 0.19850 1.00000
O7 O 0.27120 0.27120 0.69850 1.00000
O8 O 0.72880 0.72880 0.69850 1.00000
O9 O 0.77249 0.22751 0.80352 1.00000
O10 O 0.22751 0.77249 0.80352 1.00000
O11 O 0.72751 0.72751 0.30352 1.00000
O12 O 0.27249 0.27249 0.30352 1.00000
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