K2Fe2PtO6
Alexandria ALEXAlex-ID: agm010900306 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_1593_spg8
K2Fe(PtO3)2 K3Pt3O8 Fe2O3 KFeO2
2024-12-29 00:22:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010900306).
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 agm010900306
data_agm010900306
_cell_length_a 7.85984
_cell_length_b 7.85984
_cell_length_c 7.08592
_cell_angle_alpha 64.41721
_cell_angle_beta 115.58279
_cell_angle_gamma 157.28772
_cell_volume 151.73982
_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
K1 K 0.46104 0.53896 0.41335 1.00000
K2 K 0.20730 0.79270 0.92672 1.00000
Fe1 Fe 0.32473 0.67527 0.65037 1.00000
Fe2 Fe 0.66789 0.33211 0.33978 1.00000
Pt1 Pt 0.99807 0.00193 0.00182 1.00000
O1 O 0.40714 0.59286 0.98584 1.00000
O2 O 0.08068 0.91932 0.32299 1.00000
O3 O 0.73740 0.26260 0.64753 1.00000
O4 O 0.25208 0.74792 0.34079 1.00000
O5 O 0.92108 0.07892 0.67935 1.00000
O6 O 0.58960 0.41040 0.02479 1.00000
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