Sr3CaY2(PtO6)2
Alexandria ALEXAlex-ID: agm010858811 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_32_spg1
Ca6PtO8 YO2 SrO4 Y2Pt2O7 Sr3CaPtO6
2025-01-06 07:41:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010858811).
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 agm010858811
data_agm010858811
_cell_length_a 5.78678
_cell_length_b 5.87141
_cell_length_c 8.28490
_cell_angle_alpha 90.99165
_cell_angle_beta 90.48365
_cell_angle_gamma 90.47870
_cell_volume 281.43001
_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 0.75258 0.74262 0.50798 1.00000
Sr2 Sr 0.25525 0.23499 0.00542 1.00000
Sr3 Sr 0.24826 0.25732 0.49341 1.00000
Ca1 Ca 0.73409 0.77228 0.98839 1.00000
Y1 Y 0.75473 0.25237 0.75172 1.00000
Y2 Y 0.24446 0.74770 0.24825 1.00000
Pt1 Pt 0.74569 0.25040 0.24798 1.00000
Pt2 Pt 0.25531 0.74948 0.75229 1.00000
O1 O 0.20592 0.70384 0.51293 1.00000
O2 O 0.70192 0.18344 0.01215 1.00000
O3 O 0.03337 0.06312 0.24707 1.00000
O4 O 0.54827 0.56813 0.75359 1.00000
O5 O 0.79362 0.30349 0.48678 1.00000
O6 O 0.31356 0.79549 0.98893 1.00000
O7 O 0.96375 0.93326 0.76278 1.00000
O8 O 0.45678 0.43533 0.25195 1.00000
O9 O 0.44267 0.03060 0.71054 1.00000
O10 O 0.92522 0.53593 0.19411 1.00000
O11 O 0.55488 0.97332 0.29485 1.00000
O12 O 0.06968 0.46689 0.78889 1.00000
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