Cs4Ag2Hg5
Alexandria ALEXAlex-ID: agm005658696 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_166_spg10
CsHg2 Ag CsHg
2023-06-21 09:45:57.111925
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658696).
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 agm005658696
data_agm005658696
_cell_length_a 5.32677
_cell_length_b 8.81528
_cell_length_c 10.12843
_cell_angle_alpha 92.38825
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 475.18765
_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 0.50000 0.24856 0.62594 1.00000
Cs2 Cs 0.50000 0.76844 0.86059 1.00000
Cs3 Cs 0.50000 0.75144 0.37406 1.00000
Cs4 Cs 0.50000 0.23156 0.13941 1.00000
Ag1 Ag 0.00000 0.92467 0.61991 1.00000
Ag2 Ag 0.00000 0.07533 0.38009 1.00000
Hg1 Hg 0.00000 0.40749 0.36540 1.00000
Hg2 Hg 0.00000 0.90410 0.12580 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.00000 0.09590 0.87420 1.00000
Hg5 Hg 0.00000 0.59251 0.63460 1.00000
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