SrWO2
Alexandria ALEXAlex-ID: agm002115334 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6164_spg8
Sr3WO6 W
2021-11-14 23:28:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002115334).
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
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# CIF generated by HEAS from Alexandria entry agm002115334
data_agm002115334
_cell_length_a 6.58482
_cell_length_b 3.38495
_cell_length_c 13.59472
_cell_angle_alpha 90.00000
_cell_angle_beta 116.93095
_cell_angle_gamma 90.00000
_cell_volume 270.15531
_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 0.24981 0.00000 0.73114 1.00000
Sr2 Sr 0.24981 0.50000 0.23114 1.00000
Sr3 Sr 0.81324 0.00000 0.45145 1.00000
Sr4 Sr 0.81324 0.50000 0.95145 1.00000
O1 O 0.54869 0.00000 0.23586 1.00000
O2 O 0.54869 0.50000 0.73586 1.00000
O3 O 0.96903 0.00000 0.24682 1.00000
O4 O 0.96903 0.50000 0.74682 1.00000
O5 O 0.51227 0.00000 0.93597 1.00000
O6 O 0.51227 0.50000 0.43597 1.00000
O7 O 0.12506 0.00000 0.06129 1.00000
O8 O 0.12506 0.50000 0.56129 1.00000
W1 W 0.42310 0.00000 0.05151 1.00000
W2 W 0.42310 0.50000 0.55151 1.00000
W3 W 0.74718 0.00000 0.71585 1.00000
W4 W 0.74718 0.50000 0.21585 1.00000
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