Cs3(AgHg2)2
Alexandria ALEXAlex-ID: agm003339232 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_277_spg12
CsHg2 Ag CsHg
2022-02-01 21:22:50.456900
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003339232).
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 agm003339232
data_agm003339232
_cell_length_a 5.34816
_cell_length_b 7.15555
_cell_length_c 10.39919
_cell_angle_alpha 108.01503
_cell_angle_beta 90.00000
_cell_angle_gamma 111.94443
_cell_volume 348.01033
_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
Cs1 Cs 0.62225 0.24451 0.68061 1.00000
Cs2 Cs 0.00000 0.00000 0.00000 1.00000
Cs3 Cs 0.37775 0.75549 0.31939 1.00000
Ag1 Ag 0.66965 0.33929 0.32684 1.00000
Ag2 Ag 0.33035 0.66071 0.67316 1.00000
Hg1 Hg 0.72269 0.44538 0.07416 1.00000
Hg2 Hg 0.27731 0.55461 0.92584 1.00000
Hg3 Hg 0.87619 0.75238 0.58509 1.00000
Hg4 Hg 0.12381 0.24762 0.41491 1.00000
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