Rb(SnAu)4
Alexandria ALEXAlex-ID: agm005235129 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_969_spg70
Rb(SnAu)4
2024-10-09 07:07:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235129).
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 agm005235129
data_agm005235129
_cell_length_a 7.99558
_cell_length_b 7.99558
_cell_length_c 18.55201
_cell_angle_alpha 106.81067
_cell_angle_beta 106.81067
_cell_angle_gamma 69.99523
_cell_volume 1042.69294
_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 0.62500 0.87500 0.75000 1.00000
Rb2 Rb 0.12500 0.87500 0.75000 1.00000
Rb3 Rb 0.12500 0.37500 0.25000 1.00000
Rb4 Rb 0.12500 0.87500 0.25000 1.00000
Sn1 Sn 0.36029 0.87479 0.99019 1.00000
Sn2 Sn 0.62990 0.11540 0.99019 1.00000
Sn3 Sn 0.12521 0.63971 0.00981 1.00000
Sn4 Sn 0.88971 0.87521 0.50981 1.00000
Sn5 Sn 0.88460 0.37010 0.00981 1.00000
Sn6 Sn 0.62010 0.63460 0.50981 1.00000
Sn7 Sn 0.12479 0.11029 0.49019 1.00000
Sn8 Sn 0.36540 0.37990 0.49019 1.00000
Sn9 Sn 0.29545 0.29708 0.81075 1.00000
Sn10 Sn 0.51530 0.51367 0.81075 1.00000
Sn11 Sn 0.70292 0.70455 0.18925 1.00000
Sn12 Sn 0.95455 0.45292 0.68925 1.00000
Sn13 Sn 0.48633 0.48470 0.18925 1.00000
Sn14 Sn 0.73470 0.23633 0.68925 1.00000
Sn15 Sn 0.54708 0.04545 0.31075 1.00000
Sn16 Sn 0.76367 0.26530 0.31075 1.00000
Au1 Au 0.26122 0.31244 0.07842 1.00000
Au2 Au 0.81720 0.76597 0.07842 1.00000
Au3 Au 0.68756 0.73878 0.92158 1.00000
Au4 Au 0.98878 0.43756 0.42158 1.00000
Au5 Au 0.23403 0.18280 0.92158 1.00000
Au6 Au 0.43280 0.98403 0.42158 1.00000
Au7 Au 0.56244 0.01122 0.57842 1.00000
Au8 Au 0.01597 0.56720 0.57842 1.00000
Au9 Au 0.52543 0.60420 0.35159 1.00000
Au10 Au 0.82615 0.74739 0.35159 1.00000
Au11 Au 0.39580 0.47457 0.64841 1.00000
Au12 Au 0.72457 0.14580 0.14841 1.00000
Au13 Au 0.25261 0.17385 0.64841 1.00000
Au14 Au 0.42385 0.00261 0.14841 1.00000
Au15 Au 0.85420 0.27543 0.85159 1.00000
Au16 Au 0.99739 0.57615 0.85159 1.00000
