RbSnH3
Alexandria ALEXAlex-ID: agm095118025 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_113_spg162
Rb4Sn23 RbH7 RbSnH
2025-05-26 21:42:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095118025).
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 agm095118025
data_agm095118025
_cell_length_a 5.01602
_cell_length_b 5.99927
_cell_length_c 6.79637
_cell_angle_alpha 104.16864
_cell_angle_beta 90.00997
_cell_angle_gamma 90.00515
_cell_volume 198.29773
_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 0.75001 0.77176 0.12767 1.00000
Rb2 Rb 0.24999 0.22824 0.87233 1.00000
Sn1 Sn 0.75001 0.38287 0.49526 1.00000
Sn2 Sn 0.24999 0.61713 0.50474 1.00000
H1 H 0.75006 0.08699 0.49696 1.00000
H2 H 0.75006 0.43631 0.78589 1.00000
H3 H 0.24994 0.91301 0.50304 1.00000
H4 H 0.24994 0.56369 0.21411 1.00000
H5 H 0.74987 0.28260 0.19343 1.00000
H6 H 0.25013 0.71740 0.80657 1.00000
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