H2Pt2O5
Alexandria ALEXAlex-ID: agm007226882 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_129_spg46
PtO2 H2O
2024-01-27 11:58:13.158466
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007226882).
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 agm007226882
data_agm007226882
_cell_length_a 6.87421
_cell_length_b 6.87421
_cell_length_c 5.46185
_cell_angle_alpha 79.55617
_cell_angle_beta 79.55617
_cell_angle_gamma 41.86881
_cell_volume 168.98644
_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
H1 H 0.01342 0.20622 0.64253 1.00000
H2 H 0.22274 0.68596 0.20243 1.00000
H3 H 0.20622 0.01342 0.14253 1.00000
H4 H 0.68596 0.22274 0.70243 1.00000
Pt1 Pt 0.97895 0.51524 0.08401 1.00000
Pt2 Pt 0.51524 0.97895 0.58401 1.00000
Pt3 Pt 0.69574 0.20401 0.16287 1.00000
Pt4 Pt 0.20401 0.69574 0.66287 1.00000
O1 O 0.40267 0.19437 0.23113 1.00000
O2 O 0.78862 0.60004 0.43058 1.00000
O3 O 0.19437 0.40267 0.73113 1.00000
O4 O 0.60004 0.78862 0.93058 1.00000
O5 O 0.01148 0.19582 0.08216 1.00000
O6 O 0.00910 0.79478 0.02510 1.00000
O7 O 0.19582 0.01148 0.58216 1.00000
O8 O 0.79478 0.00910 0.52510 1.00000
O9 O 0.60369 0.38658 0.80387 1.00000
O10 O 0.38658 0.60369 0.30387 1.00000
Get direct link