SrW2Se2O11
Alexandria ALEXAlex-ID: agm019536337 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D11_8_spg36
SrSe2O5 WO3
2024-12-31 14:26:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019536337).
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 agm019536337
data_agm019536337
_cell_length_a 8.95469
_cell_length_b 8.95469
_cell_length_c 7.85934
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 126.13507
_cell_volume 508.97850
_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 0.26424 0.26424 0.85584 1.00000
Sr2 Sr 0.73576 0.73576 0.35584 1.00000
W1 W 0.84580 0.62629 0.83755 1.00000
W2 W 0.15420 0.37371 0.33755 1.00000
W3 W 0.62629 0.84580 0.83755 1.00000
W4 W 0.37371 0.15420 0.33755 1.00000
Se1 Se 0.29109 0.88013 0.69020 1.00000
Se2 Se 0.11987 0.70891 0.19020 1.00000
Se3 Se 0.88013 0.29109 0.69020 1.00000
Se4 Se 0.70891 0.11987 0.19020 1.00000
O1 O 0.56959 0.38719 0.36637 1.00000
O2 O 0.81276 0.81276 0.91042 1.00000
O3 O 0.90836 0.63737 0.10766 1.00000
O4 O 0.86266 0.14398 0.84397 1.00000
O5 O 0.63737 0.90836 0.10766 1.00000
O6 O 0.84933 0.66537 0.61484 1.00000
O7 O 0.33463 0.15067 0.11484 1.00000
O8 O 0.36263 0.09164 0.60766 1.00000
O9 O 0.04111 0.51586 0.32198 1.00000
O10 O 0.09164 0.36263 0.60766 1.00000
O11 O 0.43041 0.61281 0.86637 1.00000
O12 O 0.48414 0.95889 0.82198 1.00000
O13 O 0.14398 0.86266 0.84397 1.00000
O14 O 0.61281 0.43041 0.86637 1.00000
O15 O 0.15067 0.33463 0.11484 1.00000
O16 O 0.18724 0.18724 0.41042 1.00000
O17 O 0.13734 0.85602 0.34397 1.00000
O18 O 0.85602 0.13734 0.34397 1.00000
O19 O 0.95889 0.48414 0.82198 1.00000
O20 O 0.66537 0.84933 0.61484 1.00000
O21 O 0.51586 0.04111 0.32198 1.00000
O22 O 0.38719 0.56959 0.36637 1.00000
