Rb5Sr5H2
Alexandria ALEXAlex-ID: agm006355382 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_23_spg12
SrH2 Rb Sr
2024-02-24 04:51:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006355382).
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 agm006355382
data_agm006355382
_cell_length_a 10.67305
_cell_length_b 10.67305
_cell_length_c 15.11397
_cell_angle_alpha 102.96941
_cell_angle_beta 102.96941
_cell_angle_gamma 23.64127
_cell_volume 672.01995
_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 0.50000 0.50000 0.00000 1.00000
Rb2 Rb 0.70499 0.70499 0.60417 1.00000
Rb3 Rb 0.79899 0.79899 0.89294 1.00000
Rb4 Rb 0.20101 0.20101 0.10706 1.00000
Rb5 Rb 0.29501 0.29501 0.39583 1.00000
Sr1 Sr 0.08402 0.08402 0.77812 1.00000
Sr2 Sr 0.57668 0.57668 0.31812 1.00000
Sr3 Sr 0.42332 0.42332 0.68188 1.00000
Sr4 Sr 0.91598 0.91598 0.22188 1.00000
Sr5 Sr 0.00000 0.00000 0.50000 1.00000
H1 H 0.02109 0.02109 0.34026 1.00000
H2 H 0.97891 0.97891 0.65974 1.00000
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