HgPt2O
Alexandria ALEXAlex-ID: agm002118366 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6252_spg1
Hg4Pt Hg(PtO2)3 Pt
2021-11-12 18:03:16.703527
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002118366).
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 agm002118366
data_agm002118366
_cell_length_a 4.81296
_cell_length_b 5.67884
_cell_length_c 6.22921
_cell_angle_alpha 115.61661
_cell_angle_beta 109.76089
_cell_angle_gamma 91.49986
_cell_volume 141.46991
_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
Hg1 Hg 0.40925 0.77846 0.57631 1.00000
Hg2 Hg 0.17350 0.91803 0.07076 1.00000
Pt1 Pt 0.41706 0.29604 0.59764 1.00000
Pt2 Pt 0.89613 0.04994 0.57659 1.00000
Pt3 Pt 0.89785 0.51605 0.54729 1.00000
Pt4 Pt 0.84726 0.51927 0.08619 1.00000
O1 O 0.67458 0.83775 0.19487 1.00000
O2 O 0.08522 0.25228 0.96440 1.00000
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