RbAl2H7
Alexandria ALEXAlex-ID: agm006201765 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_800_spg166
AlH3 RbAlH4
2023-10-15 21:41:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201765).
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 agm006201765
data_agm006201765
_cell_length_a 7.44229
_cell_length_b 7.44235
_cell_length_c 5.51208
_cell_angle_alpha 132.16681
_cell_angle_beta 47.82238
_cell_angle_gamma 119.96944
_cell_volume 167.03199
_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
H1 H 0.14922 0.82084 0.11160 1.00000
H2 H 0.79697 0.89100 0.88283 1.00000
H3 H 0.43815 0.53199 0.88258 1.00000
H4 H 0.14980 0.17913 0.10975 1.00000
H5 H 0.47331 0.85541 0.49682 1.00000
H6 H 0.50825 0.17965 0.11121 1.00000
H7 H 0.79698 0.53213 0.88292 1.00000
Al1 Al 0.31219 0.01674 0.98127 1.00000
Al2 Al 0.63429 0.69473 0.01236 1.00000
Rb1 Rb 0.97324 0.35576 0.99682 1.00000
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