CsRbHgAu2
Alexandria ALEXAlex-ID: agm004996402 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1945_spg107
Rb3Hg3Au2 CsHgAu Rb2Au3 CsAu
2022-07-05 01:53:28.944398
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004996402).
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 agm004996402
data_agm004996402
_cell_length_a 4.92402
_cell_length_b 4.95922
_cell_length_c 9.26450
_cell_angle_alpha 105.52425
_cell_angle_beta 105.41132
_cell_angle_gamma 90.00000
_cell_volume 209.52409
_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 0.47415 0.47415 0.94830 1.00000
Rb1 Rb 0.19433 0.69433 0.38867 1.00000
Hg1 Hg 0.87360 0.87360 0.74720 1.00000
Au1 Au 0.62591 0.12591 0.25183 1.00000
Au2 Au 0.04414 0.04414 0.08829 1.00000
