Sr4PtO5
Alexandria ALEXAlex-ID: agm003658867 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
Sr4PtO6 Pt SrO
2022-04-07 17:20:48.628319
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003658867).
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 agm003658867
data_agm003658867
_cell_length_a 5.13049
_cell_length_b 6.19534
_cell_length_c 6.19534
_cell_angle_alpha 80.12806
_cell_angle_beta 65.53980
_cell_angle_gamma 65.53980
_cell_volume 163.15840
_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 0.39854 0.39644 0.80864 1.00000
Sr2 Sr 0.79498 0.80864 0.60356 1.00000
Sr3 Sr 0.20719 0.19136 0.39644 1.00000
Sr4 Sr 0.60363 0.60356 0.19136 1.00000
Pt1 Pt 0.00113 0.00000 0.00000 1.00000
O1 O 0.90615 0.38711 0.80273 1.00000
O2 O 0.29326 0.80273 0.61289 1.00000
O3 O 0.70887 0.19727 0.38711 1.00000
O4 O 0.09599 0.61289 0.19727 1.00000
O5 O 0.50057 1.00000 1.00000 1.00000
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