RbIn3Sn2
Alexandria ALEXAlex-ID: agm005670126 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2900_spg12
Rb(InSn)2 In
2023-08-24 13:12:14.320156
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005670126).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005670126
data_agm005670126
_cell_length_a 5.51614
_cell_length_b 9.56700
_cell_length_c 10.30209
_cell_angle_alpha 47.34212
_cell_angle_beta 74.47138
_cell_angle_gamma 73.24439
_cell_volume 380.82043
_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 0.87301 0.07845 0.17553 1.00000
Rb2 Rb 0.12699 0.92155 0.82447 1.00000
In1 In 0.31545 0.46672 0.90238 1.00000
In2 In 0.95075 0.41275 0.68575 1.00000
In3 In 0.65673 0.18080 0.50575 1.00000
In4 In 0.34327 0.81920 0.49425 1.00000
In5 In 0.04925 0.58725 0.31425 1.00000
In6 In 0.68455 0.53328 0.09762 1.00000
Sn1 Sn 0.49041 0.20117 0.81802 1.00000
Sn2 Sn 0.50959 0.79883 0.18198 1.00000
Sn3 Sn 0.78539 0.72612 0.70309 1.00000
Sn4 Sn 0.21461 0.27388 0.29691 1.00000
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