Cs3Cd2Hg
Alexandria ALEXAlex-ID: agm005674979 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1892_spg15
Cs3Cd2 Cs2Hg Cs3Cd8
2023-08-07 09:37:12.627846
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674979).
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 agm005674979
data_agm005674979
_cell_length_a 8.63692
_cell_length_b 8.63692
_cell_length_c 9.12537
_cell_angle_alpha 80.57757
_cell_angle_beta 80.57756
_cell_angle_gamma 86.79904
_cell_volume 662.18021
_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 0.36494 0.63506 0.25000 1.00000
Cs2 Cs 0.63506 0.36494 0.75000 1.00000
Cs3 Cs 0.11509 0.24761 0.01357 1.00000
Cs4 Cs 0.75239 0.88491 0.48643 1.00000
Cs5 Cs 0.88491 0.75239 0.98643 1.00000
Cs6 Cs 0.24761 0.11509 0.51357 1.00000
Cd1 Cd 0.93591 0.45894 0.36998 1.00000
Cd2 Cd 0.54106 0.06409 0.13002 1.00000
Cd3 Cd 0.45894 0.93591 0.86998 1.00000
Cd4 Cd 0.06409 0.54106 0.63002 1.00000
Hg1 Hg 0.69379 0.30621 0.25000 1.00000
Hg2 Hg 0.30621 0.69379 0.75000 1.00000
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