CsSn2As3
Alexandria ALEXAlex-ID: agm005689550 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2115_spg63
Cs4Sn23 Sn4As3 Cs3As7
2023-08-07 05:16:28.814315
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689550).
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 agm005689550
data_agm005689550
_cell_length_a 7.13361
_cell_length_b 6.53809
_cell_length_c 9.59692
_cell_angle_alpha 109.91555
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 420.83369
_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 0.75000 0.29773 0.59546 1.00000
Cs2 Cs 0.25000 0.70227 0.40454 1.00000
Sn1 Sn 0.50000 0.25456 1.00000 1.00000
Sn2 Sn 0.50000 0.74544 0.00000 1.00000
Sn3 Sn 0.00000 0.74544 0.00000 1.00000
Sn4 Sn 0.00000 0.25456 1.00000 1.00000
As1 As 0.25000 0.55638 0.75390 1.00000
As2 As 0.75000 0.44362 0.24610 1.00000
As3 As 0.75000 0.80248 0.24610 1.00000
As4 As 0.25000 0.19752 0.75390 1.00000
As5 As 0.25000 0.08057 0.16114 1.00000
As6 As 0.75000 0.91943 0.83886 1.00000
Get direct link