Rb2Sn2Sb3
Alexandria ALEXAlex-ID: agm003308255 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_451_spg14
RbSnSb Sb
2022-02-03 22:26:39.543434
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003308255).
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 agm003308255
data_agm003308255
_cell_length_a 10.53560
_cell_length_b 7.62318
_cell_length_c 8.93753
_cell_angle_alpha 90.00000
_cell_angle_beta 51.77922
_cell_angle_gamma 90.00000
_cell_volume 563.93936
_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 0.92622 0.58856 0.80321 1.00000
Rb2 Rb 0.42622 0.91144 0.80321 1.00000
Rb3 Rb 0.57378 0.08856 0.19679 1.00000
Rb4 Rb 0.07378 0.41144 0.19679 1.00000
Sn1 Sn 0.57735 0.42749 0.62262 1.00000
Sn2 Sn 0.92265 0.92749 0.37738 1.00000
Sn3 Sn 0.07735 0.07251 0.62262 1.00000
Sn4 Sn 0.42265 0.57251 0.37738 1.00000
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Sb2 Sb 0.00000 0.00000 0.00000 1.00000
Sb3 Sb 0.76679 0.19985 0.69059 1.00000
Sb4 Sb 0.73321 0.69985 0.30941 1.00000
Sb5 Sb 0.26679 0.30015 0.69059 1.00000
Sb6 Sb 0.23321 0.80015 0.30941 1.00000
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