In7Ag2Hg3
Alexandria ALEXAlex-ID: agm024706658 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_824_spg12
In2Ag5 In Hg
2025-05-15 09:20:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024706658).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm024706658
data_agm024706658
_cell_length_a 6.23122
_cell_length_b 6.23122
_cell_length_c 10.57472
_cell_angle_alpha 64.21332
_cell_angle_beta 115.78668
_cell_angle_gamma 113.42210
_cell_volume 321.72346
_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
In1 In 0.50000 0.50000 0.00000 1.00000
In2 In 0.10530 0.38923 0.71680 1.00000
In3 In 0.61077 0.89470 0.71680 1.00000
In4 In 0.66056 0.33944 0.80151 1.00000
In5 In 0.89470 0.61077 0.28320 1.00000
In6 In 0.33944 0.66056 0.19849 1.00000
In7 In 0.38923 0.10530 0.28320 1.00000
Ag1 Ag 0.36966 0.63034 0.50719 1.00000
Ag2 Ag 0.63034 0.36966 0.49281 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
Hg2 Hg 0.15009 0.84991 0.86217 1.00000
Hg3 Hg 0.84991 0.15009 0.13783 1.00000
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