Rb3(HgPt)4
Alexandria ALEXAlex-ID: agm005708787 · Space group: I-43m (#217)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_2_spg217
RbHg RbHg3Pt RbPt2
2023-06-29 22:06:03.653327
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708787).
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 agm005708787
data_agm005708787
_cell_length_a 7.38076
_cell_length_b 7.38076
_cell_length_c 7.38076
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47121
_cell_angle_gamma 109.47123
_cell_volume 309.51449
_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
Rb1 Rb 0.50000 0.50000 0.00000 1.00000
Rb2 Rb 0.50000 0.00000 0.50000 1.00000
Rb3 Rb 0.00000 0.50000 0.50000 1.00000
Hg1 Hg 0.00000 0.59341 1.00000 1.00000
Hg2 Hg 0.59341 0.00000 1.00000 1.00000
Hg3 Hg 1.00000 0.00000 0.59341 1.00000
Hg4 Hg 0.40659 0.40659 0.40659 1.00000
Pt1 Pt 0.00000 0.22907 1.00000 1.00000
Pt2 Pt 1.00000 0.00000 0.22907 1.00000
Pt3 Pt 0.22907 0.00000 1.00000 1.00000
Pt4 Pt 0.77093 0.77093 0.77093 1.00000
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