Cs3Rb4Hg3Au2
Alexandria ALEXAlex-ID: agm004491908 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D4_15_spg44
RbHg CsRbHg Rb2Hg Cs5Au4
2022-06-17 20:39:57.755944
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004491908).
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 agm004491908
data_agm004491908
_cell_length_a 6.73851
_cell_length_b 6.88912
_cell_length_c 16.29376
_cell_angle_alpha 102.20461
_cell_angle_beta 101.93383
_cell_angle_gamma 90.00000
_cell_volume 722.56499
_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 0.00224 0.00000 1.00000 1.00000
Cs2 Cs 0.09610 0.59669 0.19338 1.00000
Cs3 Cs 0.90272 0.40331 0.80662 1.00000
Rb1 Rb 0.39929 0.89692 0.79383 1.00000
Rb2 Rb 0.22984 0.22192 0.44385 1.00000
Rb3 Rb 0.78600 0.77808 0.55615 1.00000
Rb4 Rb 0.60546 0.10308 0.20617 1.00000
Hg1 Hg 0.50408 0.50000 0.00000 1.00000
Hg2 Hg 0.34124 0.34271 0.68542 1.00000
Hg3 Hg 0.65582 0.65729 0.31458 1.00000
Au1 Au 0.11596 0.11342 0.22685 1.00000
Au2 Au 0.88911 0.88658 0.77315 1.00000
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