Rb2Sr5H2
Alexandria ALEXAlex-ID: agm006501367 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_202_spg46
SrH2 Rb Sr
2024-02-27 05:06:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006501367).
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 agm006501367
data_agm006501367
_cell_length_a 12.54972
_cell_length_b 12.54972
_cell_length_c 12.54972
_cell_angle_alpha 142.21756
_cell_angle_beta 131.98829
_cell_angle_gamma 62.65667
_cell_volume 889.56044
_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 0.09281 0.59281 1.00000
Rb2 Rb 0.00000 0.59281 0.59281 1.00000
Rb3 Rb 0.83505 0.34272 0.67778 1.00000
Rb4 Rb 0.16495 0.84272 0.50767 1.00000
Sr1 Sr 0.30684 0.50712 0.98589 1.00000
Sr2 Sr 0.69316 0.67906 0.20028 1.00000
Sr3 Sr 0.02122 0.00712 0.20028 1.00000
Sr4 Sr 0.97878 0.17906 0.98589 1.00000
Sr5 Sr 0.35511 0.94804 0.09267 1.00000
Sr6 Sr 0.64489 0.73756 0.59294 1.00000
Sr7 Sr 0.35538 0.44804 0.59294 1.00000
Sr8 Sr 0.64462 0.23756 0.09267 1.00000
Sr9 Sr 0.63818 0.84287 0.98105 1.00000
Sr10 Sr 0.36182 0.34287 0.20469 1.00000
H1 H 0.51668 0.72625 0.97626 1.00000
H2 H 0.48332 0.45958 0.20957 1.00000
H3 H 0.24999 0.22625 0.20957 1.00000
H4 H 0.75001 0.95958 0.97626 1.00000
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