Hg2PtAu8
Alexandria ALEXAlex-ID: agm003518367 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_450_spg12
PtAu6 Hg4Pt Au
2022-03-17 07:40:24.027417
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003518367).
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 agm003518367
data_agm003518367
_cell_length_a 5.82095
_cell_length_b 8.56218
_cell_length_c 7.82791
_cell_angle_alpha 56.84537
_cell_angle_beta 65.95553
_cell_angle_gamma 41.84015
_cell_volume 217.87798
_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 0.00000 0.30298 0.39404 1.00000
Hg2 Hg 1.00000 0.69702 0.60596 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
Au1 Au 0.90843 0.10165 0.21787 1.00000
Au2 Au 0.90843 0.31952 0.78213 1.00000
Au3 Au 0.33394 0.39403 0.00000 1.00000
Au4 Au 0.50000 0.78213 0.43575 1.00000
Au5 Au 0.50000 0.21787 0.56425 1.00000
Au6 Au 0.66606 0.60597 1.00000 1.00000
Au7 Au 0.09157 0.68048 0.21787 1.00000
Au8 Au 0.09157 0.89835 0.78213 1.00000
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