K5RbAu4
Alexandria ALEXAlex-ID: agm006042467 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_437_spg71
K3Rb2Au4 Rb5Au3 K5Au3
2023-10-11 05:06:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006042467).
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
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# CIF generated by HEAS from Alexandria entry agm006042467
data_agm006042467
_cell_length_a 4.91581
_cell_length_b 9.43855
_cell_length_c 9.43855
_cell_angle_alpha 74.85644
_cell_angle_beta 74.90553
_cell_angle_gamma 74.90553
_cell_volume 399.34800
_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
K1 K 0.58960 0.35910 0.96170 1.00000
K2 K 0.91040 0.03830 0.64090 1.00000
K3 K 0.75000 0.50000 0.50000 1.00000
K4 K 0.58960 0.96170 0.35910 1.00000
K5 K 0.91040 0.64090 0.03830 1.00000
Rb1 Rb 0.25000 0.00000 0.00000 1.00000
Au1 Au 0.25000 0.28890 0.71110 1.00000
Au2 Au 0.00790 0.24210 0.24210 1.00000
Au3 Au 0.49210 0.75790 0.75790 1.00000
Au4 Au 0.25000 0.71110 0.28890 1.00000
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