RbGa2H
Alexandria ALEXAlex-ID: agm005779078 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_3583_spg71
RbGaH2 RbGa3
2023-07-10 02:21:49.095313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779078).
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 agm005779078
data_agm005779078
_cell_length_a 3.86952
_cell_length_b 3.86952
_cell_length_c 11.45552
_cell_angle_alpha 90.00002
_cell_angle_beta 89.99998
_cell_angle_gamma 89.99756
_cell_volume 171.52571
_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 0.24980 0.75020 0.25000 1.00000
Rb2 Rb 0.75020 0.24980 0.75000 1.00000
Ga1 Ga 0.74989 0.25011 0.04920 1.00000
Ga2 Ga 0.25011 0.74989 0.54920 1.00000
Ga3 Ga 0.74989 0.25011 0.45080 1.00000
Ga4 Ga 0.25011 0.74989 0.95080 1.00000
H1 H 0.74986 0.25014 0.25000 1.00000
H2 H 0.25014 0.74986 0.75000 1.00000
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