K2Ca(PtO3)2
Alexandria ALEXAlex-ID: agm030631228 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_25_spg12
K3Pt3O8 K4(PtO2)3 Ca2Pt3O8 CaO
2025-02-02 21:09:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030631228).
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 agm030631228
data_agm030631228
_cell_length_a 5.62791
_cell_length_b 5.62791
_cell_length_c 6.50323
_cell_angle_alpha 81.84171
_cell_angle_beta 98.15829
_cell_angle_gamma 58.68004
_cell_volume 168.42221
_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 0.83648 0.83648 0.00000 1.00000
K2 K 0.16352 0.16352 0.00000 1.00000
Ca1 Ca 0.00000 0.00000 0.50000 1.00000
Pt1 Pt 0.33473 0.33473 0.50000 1.00000
Pt2 Pt 0.66527 0.66527 0.50000 1.00000
O1 O 0.30466 0.69534 0.32273 1.00000
O2 O 0.58133 0.05339 0.32595 1.00000
O3 O 0.69534 0.30466 0.67727 1.00000
O4 O 0.94661 0.41867 0.32595 1.00000
O5 O 0.41867 0.94661 0.67405 1.00000
O6 O 0.05339 0.58133 0.67405 1.00000
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