Sr3SO6
Alexandria ALEXAlex-ID: agm002175136 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_7_spg12
SrSO4 SrO
2018-06-09 07:47:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002175136).
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 agm002175136
data_agm002175136
_cell_length_a 5.76913
_cell_length_b 5.76900
_cell_length_c 5.66168
_cell_angle_alpha 59.36560
_cell_angle_beta 59.36542
_cell_angle_gamma 59.99625
_cell_volume 131.94632
_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 0.65000 0.65000 0.05001 1.00000
Sr2 Sr 0.39586 0.39588 0.81245 1.00000
Sr3 Sr 0.90415 0.90413 0.28753 1.00000
S1 S 0.15000 0.15000 0.55000 1.00000
O1 O 0.35111 0.89238 0.76469 1.00000
O2 O 0.30808 0.94886 0.33536 1.00000
O3 O 0.94888 0.40762 0.33531 1.00000
O4 O 0.99191 0.35113 0.76465 1.00000
O5 O 0.89235 0.99187 0.76486 1.00000
O6 O 0.40766 0.30813 0.33514 1.00000
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