RbGaH6
Alexandria ALEXAlex-ID: agm095969698 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_4_spg166
RbGaH6
2025-05-27 02:13:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095969698).
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 agm095969698
data_agm095969698
_cell_length_a 5.42186
_cell_length_b 5.41768
_cell_length_c 5.30991
_cell_angle_alpha 89.98786
_cell_angle_beta 119.19926
_cell_angle_gamma 121.13522
_cell_volume 109.70998
_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 0.10771 0.56995 0.55371 1.00000
Ga1 Ga 0.12016 0.06548 0.06055 1.00000
H1 H 0.70474 0.26959 0.85190 1.00000
H2 H 0.59718 0.33070 0.79661 1.00000
H3 H 0.35493 0.94406 0.17644 1.00000
H4 H 0.86278 0.93222 0.69461 1.00000
H5 H 0.36377 0.43121 0.16987 1.00000
H6 H 0.88875 0.95678 0.19631 1.00000
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