Rb(H3Au)2
Alexandria ALEXAlex-ID: agm007665115 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1497_spg147
RbH6Au Au
2025-05-27 04:57:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007665115).
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 agm007665115
data_agm007665115
_cell_length_a 3.61099
_cell_length_b 5.87091
_cell_length_c 6.53596
_cell_angle_alpha 111.73245
_cell_angle_beta 90.31833
_cell_angle_gamma 94.10639
_cell_volume 128.30510
_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 0.96135 0.85199 0.97498 1.00000
H1 H 0.93733 0.69512 0.38568 1.00000
H2 H 0.48619 0.10249 0.34055 1.00000
H3 H 0.41257 0.39167 0.88596 1.00000
H4 H 0.43171 0.51301 0.57861 1.00000
H5 H 0.41601 0.51399 0.14770 1.00000
H6 H 0.46661 0.96606 0.66872 1.00000
Au1 Au 0.44047 0.71856 0.40173 1.00000
Au2 Au 0.44784 0.24717 0.61588 1.00000
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