In5Ag2Hg5
Alexandria ALEXAlex-ID: agm005651765 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
In2Ag5 In Hg
2023-06-18 22:14:38.654275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651765).
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 agm005651765
data_agm005651765
_cell_length_a 4.33125
_cell_length_b 8.64165
_cell_length_c 8.87692
_cell_angle_alpha 98.98247
_cell_angle_beta 75.88089
_cell_angle_gamma 75.48245
_cell_volume 303.46130
_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 0.00000 0.50000 0.50000 1.00000
In2 In 0.70356 0.73016 0.86263 1.00000
In3 In 0.39458 0.92295 0.28789 1.00000
In4 In 0.60542 0.07705 0.71211 1.00000
In5 In 0.29644 0.26984 0.13737 1.00000
Ag1 Ag 0.40027 0.47167 0.72779 1.00000
Ag2 Ag 0.59973 0.52833 0.27221 1.00000
Hg1 Hg 0.69608 0.20019 0.40762 1.00000
Hg2 Hg 0.87997 0.34485 0.89522 1.00000
Hg3 Hg 0.12003 0.65515 0.10478 1.00000
Hg4 Hg 0.30392 0.79981 0.59238 1.00000
Hg5 Hg 0.00000 0.00000 0.00000 1.00000
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