AgHgI2
Alexandria ALEXAlex-ID: agm002043976 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_3034_spg1
Ag2HgI4 Hg
2021-09-22 23:22:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002043976).
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 agm002043976
data_agm002043976
_cell_length_a 4.59201
_cell_length_b 6.49617
_cell_length_c 10.96750
_cell_angle_alpha 81.68732
_cell_angle_beta 80.23297
_cell_angle_gamma 86.70058
_cell_volume 318.85330
_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
I1 I 0.51135 0.92575 0.93960 1.00000
I2 I 0.21717 0.59692 0.30960 1.00000
I3 I 0.64453 0.04627 0.51077 1.00000
I4 I 0.04586 0.49795 0.76075 1.00000
Hg1 Hg 0.02470 0.11150 0.07521 1.00000
Hg2 Hg 0.70322 0.32098 0.24718 1.00000
Ag1 Ag 0.15756 0.77833 0.54064 1.00000
Ag2 Ag 0.58164 0.25693 0.72522 1.00000
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