Sr(SO3)2
Alexandria ALEXAlex-ID: agm005257910 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6047_spg2
SO2 SrSO4
2024-10-10 00:03:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257910).
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 agm005257910
data_agm005257910
_cell_length_a 5.26139
_cell_length_b 8.56221
_cell_length_c 10.59075
_cell_angle_alpha 47.97776
_cell_angle_beta 75.24679
_cell_angle_gamma 72.57557
_cell_volume 337.17933
_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 0.92279 0.73335 0.04247 1.00000
Sr2 Sr 0.07721 0.26665 0.95753 1.00000
S1 S 0.60151 0.90216 0.28617 1.00000
S2 S 0.39849 0.09784 0.71383 1.00000
S3 S 0.68997 0.53544 0.45088 1.00000
S4 S 0.31003 0.46456 0.54912 1.00000
O1 O 0.18723 0.60984 0.86773 1.00000
O2 O 0.81277 0.39016 0.13227 1.00000
O3 O 0.16942 0.05766 0.84813 1.00000
O4 O 0.83058 0.94234 0.15187 1.00000
O5 O 0.34260 0.97312 0.21420 1.00000
O6 O 0.65740 0.02688 0.78580 1.00000
O7 O 0.45893 0.59303 0.82876 1.00000
O8 O 0.54107 0.40697 0.17124 1.00000
O9 O 0.42753 0.60040 0.12833 1.00000
O10 O 0.57247 0.39960 0.87167 1.00000
O11 O 0.92015 0.94815 0.51549 1.00000
O12 O 0.07985 0.05185 0.48451 1.00000
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