K7Rb3In2
Alexandria ALEXAlex-ID: agm024841964 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
K8In11 K Rb
2025-05-16 20:45:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024841964).
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 agm024841964
data_agm024841964
_cell_length_a 8.38160
_cell_length_b 8.38160
_cell_length_c 13.55433
_cell_angle_alpha 74.50393
_cell_angle_beta 105.49607
_cell_angle_gamma 118.86467
_cell_volume 792.74641
_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 0.50000 0.50000 0.00000 1.00000
K2 K 0.57351 0.93726 0.72479 1.00000
K3 K 0.55125 0.44875 0.66898 1.00000
K4 K 0.06274 0.42649 0.72479 1.00000
K5 K 0.42649 0.06274 0.27521 1.00000
K6 K 0.93726 0.57351 0.27521 1.00000
K7 K 0.44875 0.55125 0.33102 1.00000
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
Rb2 Rb 0.14235 0.85765 0.93014 1.00000
Rb3 Rb 0.85765 0.14235 0.06986 1.00000
In1 In 0.29057 0.70943 0.50365 1.00000
In2 In 0.70943 0.29057 0.49635 1.00000
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