Rb2As2H5
Alexandria ALEXAlex-ID: agm007369742 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_595_spg2
RbAsH2 RbH7 AsH9
2024-02-08 06:30:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007369742).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007369742
data_agm007369742
_cell_length_a 3.79882
_cell_length_b 4.36595
_cell_length_c 11.75380
_cell_angle_alpha 88.56578
_cell_angle_beta 81.20681
_cell_angle_gamma 89.22593
_cell_volume 192.58161
_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 0.42109 0.25099 0.15472 1.00000
Rb2 Rb 0.57891 0.74901 0.84528 1.00000
As1 As 0.16550 0.24519 0.66471 1.00000
As2 As 0.83450 0.75481 0.33529 1.00000
H1 H 0.77121 0.78767 0.46597 1.00000
H2 H 0.22879 0.21233 0.53403 1.00000
H3 H 0.83680 0.40054 0.34736 1.00000
H4 H 0.16320 0.59946 0.65264 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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