SrSO4
Alexandria ALEXAlex-ID: agm005235524 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_133_spg62
SrSO4
2022-12-01 10:21:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235524).
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 agm005235524
data_agm005235524
_cell_length_a 5.44984
_cell_length_b 6.95471
_cell_length_c 8.46808
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 320.95718
_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 0.25000 0.34345 0.68474 1.00000
Sr2 Sr 0.75000 0.65655 0.31526 1.00000
Sr3 Sr 0.75000 0.84345 0.81526 1.00000
Sr4 Sr 0.25000 0.15655 0.18474 1.00000
S1 S 0.75000 0.31695 0.93996 1.00000
S2 S 0.25000 0.68305 0.06004 1.00000
S3 S 0.25000 0.81695 0.56004 1.00000
S4 S 0.75000 0.18305 0.43996 1.00000
O1 O 0.47313 0.80872 0.07706 1.00000
O2 O 0.97313 0.19128 0.92294 1.00000
O3 O 0.52687 0.30872 0.42294 1.00000
O4 O 0.02687 0.69128 0.57706 1.00000
O5 O 0.52687 0.19128 0.92294 1.00000
O6 O 0.02687 0.80872 0.07706 1.00000
O7 O 0.47313 0.69128 0.57706 1.00000
O8 O 0.97313 0.30872 0.42294 1.00000
O9 O 0.75000 0.09399 0.59768 1.00000
O10 O 0.25000 0.90601 0.40232 1.00000
O11 O 0.25000 0.59399 0.90232 1.00000
O12 O 0.75000 0.40601 0.09768 1.00000
O13 O 0.75000 0.03853 0.31050 1.00000
O14 O 0.25000 0.96147 0.68950 1.00000
O15 O 0.25000 0.53853 0.18950 1.00000
O16 O 0.75000 0.46147 0.81050 1.00000
