Cs2In4Hg5
Alexandria ALEXAlex-ID: agm005667528 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_154_spg69
Cs2Hg7 CsHg2 In
2023-06-21 16:37:06.415998
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667528).
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 agm005667528
data_agm005667528
_cell_length_a 7.31323
_cell_length_b 6.81256
_cell_length_c 9.76748
_cell_angle_alpha 78.40809
_cell_angle_beta 68.01484
_cell_angle_gamma 57.53760
_cell_volume 380.73590
_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 0.86617 0.00000 0.26766 1.00000
Cs2 Cs 0.13383 0.00000 0.73234 1.00000
In1 In 0.47922 0.30421 0.73736 1.00000
In2 In 0.52078 0.69579 0.26264 1.00000
In3 In 0.21657 0.30421 0.26264 1.00000
In4 In 0.78343 0.69579 0.73736 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
Hg2 Hg 0.00000 0.50000 0.00000 1.00000
Hg3 Hg 0.50000 0.50000 0.00000 1.00000
Hg4 Hg 0.25000 0.50000 0.50000 1.00000
Hg5 Hg 0.75000 0.50000 0.50000 1.00000
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