Ir(PtO3)2
Alexandria ALEXAlex-ID: agm005755735 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1923_spg12
PtO2 IrO2
2023-07-09 01:21:16.210891
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755735).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005755735
data_agm005755735
_cell_length_a 3.16396
_cell_length_b 5.97283
_cell_length_c 6.76901
_cell_angle_alpha 98.02275
_cell_angle_beta 103.51555
_cell_angle_gamma 90.00000
_cell_volume 123.08872
_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
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
Pt1 Pt 0.83324 0.66654 0.66648 1.00000
Pt2 Pt 0.16676 0.33346 0.33352 1.00000
O1 O 0.34559 0.88815 0.69118 1.00000
O2 O 0.01288 0.21557 0.02575 1.00000
O3 O 0.67760 0.55620 0.35519 1.00000
O4 O 0.98712 0.78443 0.97425 1.00000
O5 O 0.65441 0.11185 0.30882 1.00000
O6 O 0.32240 0.44380 0.64481 1.00000
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