KRbGa
Alexandria ALEXAlex-ID: agm005659070 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1018_spg166
K2Ga3 K Rb
2023-06-19 10:14:13.017216
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659070).
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 agm005659070
data_agm005659070
_cell_length_a 4.62300
_cell_length_b 4.62167
_cell_length_c 17.61265
_cell_angle_alpha 89.97705
_cell_angle_beta 82.39224
_cell_angle_gamma 60.02036
_cell_volume 322.14370
_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
K1 K 0.07574 0.23296 0.42682 1.00000
K2 K 0.25655 0.14305 0.15472 1.00000
Rb1 Rb 0.58040 0.97912 0.66928 1.00000
Rb2 Rb 0.74851 0.39726 0.91207 1.00000
Ga1 Ga 0.83281 0.85470 0.29092 1.00000
Ga2 Ga 0.49943 0.52125 0.29089 1.00000
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