RbLi2H7
Alexandria ALEXAlex-ID: agm006201619 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_880_spg47
RbH7 LiH RbH
2023-11-20 21:27:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201619).
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 agm006201619
data_agm006201619
_cell_length_a 5.01112
_cell_length_b 4.02998
_cell_length_c 11.22588
_cell_angle_alpha 110.68635
_cell_angle_beta 53.02322
_cell_angle_gamma 142.94966
_cell_volume 105.26641
_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 0.15046 0.88063 0.34423 1.00000
H2 H 0.79602 0.83087 0.64943 1.00000
H3 H 0.55380 0.58722 0.64416 1.00000
H4 H 0.09768 0.16587 0.18410 1.00000
H5 H 0.47329 0.85580 0.49686 1.00000
H6 H 0.39337 0.12466 0.34916 1.00000
H7 H 0.84854 0.54546 0.80960 1.00000
Rb1 Rb 0.97303 0.35559 0.99684 1.00000
Li1 Li 0.64966 0.19511 0.65839 1.00000
Li2 Li 0.29656 0.51617 0.33539 1.00000
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