Rb8Si6H
Alexandria ALEXAlex-ID: agm072975413 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_3_spg148
RbSi Rb RbH
2024-10-06 12:11:22.877170
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072975413).
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 agm072975413
data_agm072975413
_cell_length_a 8.77439
_cell_length_b 8.77439
_cell_length_c 8.77439
_cell_angle_alpha 93.65502
_cell_angle_beta 93.65502
_cell_angle_gamma 93.65502
_cell_volume 671.23193
_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 0.80519 0.80519 0.80519 1.00000
Rb2 Rb 0.19481 0.19481 0.19481 1.00000
Rb3 Rb 0.92183 0.30310 0.64731 1.00000
Rb4 Rb 0.30310 0.64731 0.92183 1.00000
Rb5 Rb 0.64731 0.92183 0.30310 1.00000
Rb6 Rb 0.07817 0.69690 0.35269 1.00000
Rb7 Rb 0.69690 0.35269 0.07817 1.00000
Rb8 Rb 0.35269 0.07817 0.69690 1.00000
Si1 Si 0.44170 0.69203 0.55294 1.00000
Si2 Si 0.69203 0.55294 0.44170 1.00000
Si3 Si 0.55294 0.44170 0.69203 1.00000
Si4 Si 0.55830 0.30797 0.44706 1.00000
Si5 Si 0.30797 0.44706 0.55830 1.00000
Si6 Si 0.44706 0.55830 0.30797 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
Get direct link