Pa(AuO3)2
Alexandria ALEXAlex-ID: agm005653763 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3000_spg2
PaO6 Au2O3 Pa2O5
2023-07-09 01:14:36.794351
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653763).
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
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# CIF generated by HEAS from Alexandria entry agm005653763
data_agm005653763
_cell_length_a 3.81825
_cell_length_b 5.70014
_cell_length_c 8.12106
_cell_angle_alpha 91.98985
_cell_angle_beta 90.11829
_cell_angle_gamma 128.75691
_cell_volume 137.68493
_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 0.00000 1.00000
Au1 Au 0.84367 0.46356 0.32235 1.00000
Au2 Au 0.15632 0.53644 0.67765 1.00000
O1 O 0.96132 0.25575 0.47983 1.00000
O2 O 0.03868 0.74425 0.52017 1.00000
O3 O 0.28952 0.33028 0.83075 1.00000
O4 O 0.66425 0.17538 0.12740 1.00000
O5 O 0.71048 0.66972 0.16925 1.00000
O6 O 0.33575 0.82462 0.87260 1.00000
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