AgHgS
Alexandria ALEXAlex-ID: agm005611368 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_615_spg70
HgS Ag
2023-06-18 12:10:08.049961
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005611368).
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 agm005611368
data_agm005611368
_cell_length_a 7.47958
_cell_length_b 7.47963
_cell_length_c 7.03160
_cell_angle_alpha 111.38382
_cell_angle_beta 111.38434
_cell_angle_gamma 108.47331
_cell_volume 291.59308
_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
Ag1 Ag 0.00000 0.50000 0.00000 1.00000
Ag2 Ag 0.50000 0.50000 0.50000 1.00000
Ag3 Ag 0.00000 0.00000 0.00000 1.00000
Ag4 Ag 0.00000 0.50000 0.50000 1.00000
Hg1 Hg 0.55470 0.30457 0.10911 1.00000
Hg2 Hg 0.19541 0.94528 0.39088 1.00000
Hg3 Hg 0.44530 0.69543 0.89089 1.00000
Hg4 Hg 0.80459 0.05472 0.60912 1.00000
S1 S 0.40041 0.64977 0.25005 1.00000
S2 S 0.14977 0.90041 0.75005 1.00000
S3 S 0.85023 0.09959 0.24995 1.00000
S4 S 0.59959 0.35023 0.74995 1.00000
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