Sr2ThSbO6
Alexandria ALEXAlex-ID: agm002299751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1_spg225
Sr4Sb2O9 SrO ThO2 Sb
2018-10-18 11:38:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002299751).
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 agm002299751
data_agm002299751
_cell_length_a 6.13519
_cell_length_b 6.15113
_cell_length_c 6.07015
_cell_angle_alpha 60.00162
_cell_angle_beta 59.65730
_cell_angle_gamma 60.09656
_cell_volume 161.67756
_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
Sb1 Sb 0.50000 0.50000 0.50000 1.00000
O1 O 0.31823 0.67882 0.19640 1.00000
O2 O 0.25917 0.84990 0.63213 1.00000
O3 O 0.19301 0.32166 0.80324 1.00000
O4 O 0.80699 0.67834 0.19676 1.00000
O5 O 0.74083 0.15010 0.36787 1.00000
O6 O 0.68177 0.32119 0.80360 1.00000
Th1 Th 0.00000 1.00000 0.00000 1.00000
Sr1 Sr 0.75180 0.72492 0.77119 1.00000
Sr2 Sr 0.24820 0.27508 0.22881 1.00000
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