PaHg2PtO6
Alexandria ALEXAlex-ID: agm004947892 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Hg(PtO2)3 HgO Pa2HgO6 Hg
2022-07-31 01:45:06.887720
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004947892).
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 agm004947892
data_agm004947892
_cell_length_a 5.79745
_cell_length_b 5.79725
_cell_length_c 5.86584
_cell_angle_alpha 60.38009
_cell_angle_beta 60.38061
_cell_angle_gamma 60.00047
_cell_volume 140.20019
_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 0.81617 0.81617 0.55150 1.00000
Hg1 Hg 0.56840 0.56832 0.29496 1.00000
Hg2 Hg 0.06388 0.06395 0.80821 1.00000
Pt1 Pt 0.31616 0.31616 0.05150 1.00000
O1 O 0.55528 0.14671 0.29041 1.00000
O2 O 0.14700 0.00733 0.29073 1.00000
O3 O 0.00764 0.55464 0.29105 1.00000
O4 O 0.48529 0.62504 0.81228 1.00000
O5 O 0.62474 0.07769 0.81195 1.00000
O6 O 0.07704 0.48558 0.81260 1.00000
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