Cs(Sn4Sb)2
Alexandria ALEXAlex-ID: agm006005145 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_2325_spg12
Sn4Sb3 Cs4Sn23 Sb
2023-09-30 14:12:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006005145).
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 agm006005145
data_agm006005145
_cell_length_a 6.32721
_cell_length_b 10.63568
_cell_length_c 10.63569
_cell_angle_alpha 37.06448
_cell_angle_beta 62.29422
_cell_angle_gamma 62.29421
_cell_volume 375.95134
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.22411 0.39620 0.94545 1.00000
Sn2 Sn 0.77589 0.05455 0.60380 1.00000
Sn3 Sn 0.44818 0.75283 0.75283 1.00000
Sn4 Sn 0.55182 0.24717 0.24717 1.00000
Sn5 Sn 0.22411 0.94545 0.39620 1.00000
Sn6 Sn 0.77589 0.60380 0.05455 1.00000
Sn7 Sn 0.61406 0.55410 0.55410 1.00000
Sn8 Sn 0.38594 0.44590 0.44590 1.00000
Sb1 Sb 0.94643 0.61883 0.61883 1.00000
Sb2 Sb 0.05357 0.38117 0.38117 1.00000
Get direct link