RbGaH3
Alexandria ALEXAlex-ID: agm078216623 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_288_spg11
RbGaH2 RbGaH4
2025-05-28 00:49:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078216623).
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 agm078216623
data_agm078216623
_cell_length_a 5.31056
_cell_length_b 5.39549
_cell_length_c 7.47180
_cell_angle_alpha 99.11392
_cell_angle_beta 110.84781
_cell_angle_gamma 90.28373
_cell_volume 197.11083
_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 0.91535 0.53187 0.05385 1.00000
Rb2 Rb 0.11175 0.01332 0.56677 1.00000
Ga1 Ga 0.48121 0.07586 0.10680 1.00000
Ga2 Ga 0.59045 0.44843 0.52013 1.00000
H1 H 0.36996 0.28408 0.97305 1.00000
H2 H 0.31389 0.81566 0.99985 1.00000
H3 H 0.46811 0.14923 0.32680 1.00000
H4 H 0.68640 0.60105 0.37268 1.00000
H5 H 0.79504 0.04827 0.14169 1.00000
H6 H 0.26784 0.53223 0.43839 1.00000
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