SbPtO3
Alexandria ALEXAlex-ID: agm002228792 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_947_spg12
Pt3O4 Pt SbO2
2018-07-12 21:15:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002228792).
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 agm002228792
data_agm002228792
_cell_length_a 5.54896
_cell_length_b 5.54905
_cell_length_c 6.56624
_cell_angle_alpha 82.44620
_cell_angle_beta 97.54126
_cell_angle_gamma 54.47435
_cell_volume 157.62666
_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 0.15190 0.15190 0.50001 1.00000
Sb2 Sb 0.84809 0.84810 0.49999 1.00000
O1 O 0.19090 0.41261 0.67787 1.00000
O2 O 0.06735 0.93269 0.32130 1.00000
O3 O 0.41263 0.19093 0.32212 1.00000
O4 O 0.58737 0.80907 0.67788 1.00000
O5 O 0.93265 0.06731 0.67870 1.00000
O6 O 0.80910 0.58739 0.32213 1.00000
Pt1 Pt 0.29097 0.29096 0.99999 1.00000
Pt2 Pt 0.70903 0.70904 0.00001 1.00000
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