Rb2CuSiH6
Alexandria ALEXAlex-ID: agm007619628 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_0_spg164
Rb2SiH6 Cu
2024-02-08 19:50:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007619628).
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 agm007619628
data_agm007619628
_cell_length_a 4.96950
_cell_length_b 5.97523
_cell_length_c 7.55912
_cell_angle_alpha 96.09939
_cell_angle_beta 91.35430
_cell_angle_gamma 112.32909
_cell_volume 205.95337
_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 0.10961 0.66414 0.47977 1.00000
Rb2 Rb 0.80928 0.04195 0.88936 1.00000
Cu1 Cu 0.45892 0.43019 0.78364 1.00000
Si1 Si 0.51004 0.46048 0.08707 1.00000
H1 H 0.63646 0.71519 0.19237 1.00000
H2 H 0.67353 0.33697 0.19180 1.00000
H3 H 0.22286 0.35787 0.17482 1.00000
H4 H 0.37344 0.14801 0.71078 1.00000
H5 H 0.30072 0.59280 0.87926 1.00000
H6 H 0.58194 0.59080 0.62632 1.00000
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