Pt2RhO6
Alexandria ALEXAlex-ID: agm005755758 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1923_spg12
RhO2 PtO2
2023-07-09 02:14:27.397823
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755758).
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 agm005755758
data_agm005755758
_cell_length_a 3.14371
_cell_length_b 6.03600
_cell_length_c 6.82665
_cell_angle_alpha 99.42348
_cell_angle_beta 103.31197
_cell_angle_gamma 90.00000
_cell_volume 124.26126
_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
Pt1 Pt 0.83341 0.66870 0.66681 1.00000
Pt2 Pt 0.16659 0.33130 0.33319 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
O1 O 0.34502 0.88826 0.69004 1.00000
O2 O 0.01464 0.21581 0.02929 1.00000
O3 O 0.67813 0.55301 0.35626 1.00000
O4 O 0.98536 0.78419 0.97071 1.00000
O5 O 0.65498 0.11174 0.30996 1.00000
O6 O 0.32187 0.44699 0.64374 1.00000
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