Hg3(GeAu2)2
Alexandria ALEXAlex-ID: agm005642701 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_373_spg12
Hg Ge Au
2023-06-30 20:41:12.325560
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642701).
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 agm005642701
data_agm005642701
_cell_length_a 3.45915
_cell_length_b 6.71845
_cell_length_c 9.45189
_cell_angle_alpha 112.99241
_cell_angle_beta 90.09460
_cell_angle_gamma 105.08585
_cell_volume 193.91986
_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 0.59860 0.20544 0.73690 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
Hg3 Hg 0.40140 0.79456 0.26310 1.00000
Ge1 Ge 0.69113 0.39115 0.34712 1.00000
Ge2 Ge 0.30887 0.60885 0.65288 1.00000
Au1 Au 0.69518 0.39032 0.07404 1.00000
Au2 Au 0.30482 0.60968 0.92596 1.00000
Au3 Au 0.91302 0.81880 0.55029 1.00000
Au4 Au 0.08698 0.18120 0.44971 1.00000
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