Cs4(PtO2)3
Alexandria ALEXAlex-ID: agm008306358 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C6_28_spg12
Cs4(PtO2)3
2024-09-13 12:52:22.628463
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008306358).
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 agm008306358
data_agm008306358
_cell_length_a 6.14955
_cell_length_b 6.14955
_cell_length_c 9.03623
_cell_angle_alpha 89.47830
_cell_angle_beta 89.47830
_cell_angle_gamma 64.85353
_cell_volume 309.31805
_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
Cs1 Cs 0.67953 0.67953 0.62599 1.00000
Cs2 Cs 0.32047 0.32047 0.37401 1.00000
Cs3 Cs 0.65681 0.65681 0.11145 1.00000
Cs4 Cs 0.34319 0.34319 0.88855 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.96772 0.96772 0.33095 1.00000
Pt3 Pt 0.03228 0.03228 0.66905 1.00000
O1 O 0.74594 0.13006 0.15994 1.00000
O2 O 0.13006 0.74594 0.15994 1.00000
O3 O 0.25406 0.86994 0.84006 1.00000
O4 O 0.86994 0.25406 0.84006 1.00000
O5 O 0.80785 0.19215 0.50000 1.00000
O6 O 0.19215 0.80785 0.50000 1.00000
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