Pa(PtO4)2
Alexandria ALEXAlex-ID: agm005994743 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_545_spg12
PtO4 Pa2O5 PtO2
2023-09-28 12:25:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994743).
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 agm005994743
data_agm005994743
_cell_length_a 4.19893
_cell_length_b 7.29321
_cell_length_c 5.92415
_cell_angle_alpha 127.98700
_cell_angle_beta 83.92275
_cell_angle_gamma 90.00152
_cell_volume 141.69022
_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
Pa1 Pa 0.00000 0.00000 0.99999 1.00000
Pt1 Pt 0.28013 0.37321 0.74639 1.00000
Pt2 Pt 0.71987 0.62679 0.25359 1.00000
O1 O 0.24386 0.59137 0.18284 1.00000
O2 O 0.75614 0.40863 0.81713 1.00000
O3 O 0.77752 0.87600 0.23190 1.00000
O4 O 0.32278 0.16079 0.32147 1.00000
O5 O 0.22258 0.64410 0.76810 1.00000
O6 O 0.22248 0.12400 0.76809 1.00000
O7 O 0.67722 0.83921 0.67851 1.00000
O8 O 0.77742 0.35590 0.23189 1.00000
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