SrSnO3
Alexandria ALEXAlex-ID: agm003129166 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_11_spg63
SrSnO3
2015-10-10 06:23:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003129166).
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 agm003129166
data_agm003129166
_cell_length_a 5.69177
_cell_length_b 7.79185
_cell_length_c 3.23443
_cell_angle_alpha 89.99916
_cell_angle_beta 73.49266
_cell_angle_gamma 89.99820
_cell_volume 137.53283
_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 0.44403 0.15224 0.09998 1.00000
Sr2 Sr 0.47134 0.65224 0.58637 1.00000
Sn1 Sn 0.95768 0.90221 0.84319 1.00000
Sn2 Sn 0.95769 0.40221 0.84319 1.00000
O1 O 0.20919 0.45147 0.21746 1.00000
O2 O 0.20918 0.85296 0.21746 1.00000
O3 O 0.70620 0.95149 0.46896 1.00000
O4 O 0.70621 0.35298 0.46895 1.00000
O5 O 0.09497 0.15221 0.77454 1.00000
O6 O 0.82041 0.65222 0.91189 1.00000
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