Cs2SiHg
Alexandria ALEXAlex-ID: agm005490341 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_234_spg122
CsSi CsHg
2023-03-19 04:51:58.756905
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005490341).
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 agm005490341
data_agm005490341
_cell_length_a 12.23455
_cell_length_b 12.23455
_cell_length_c 12.23455
_cell_angle_alpha 148.72826
_cell_angle_beta 148.72826
_cell_angle_gamma 44.81144
_cell_volume 491.95546
_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 0.14317 0.62500 0.01817 1.00000
Cs2 Cs 0.60683 0.12500 0.98183 1.00000
Cs3 Cs 0.37500 0.39317 0.51817 1.00000
Cs4 Cs 0.87500 0.85683 0.48183 1.00000
Si1 Si 0.25000 0.75000 0.50000 1.00000
Si2 Si 0.50000 0.50000 0.00000 1.00000
Hg1 Hg 0.75000 0.25000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
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