Cs13Ti2(Sn3As5)2
Alexandria ALEXAlex-ID: agm009687526 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B6C10D13_0_spg2
CsSn Cs2SnAs2 Cs2TiAs2
2024-08-25 00:06:42.926548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009687526).
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 agm009687526
data_agm009687526
_cell_length_a 10.07776
_cell_length_b 9.84271
_cell_length_c 13.91579
_cell_angle_alpha 97.95743
_cell_angle_beta 85.20425
_cell_angle_gamma 112.12478
_cell_volume 1265.64354
_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 0.88007 0.50443 0.36251 1.00000
Cs2 Cs 0.11993 0.49557 0.63749 1.00000
Cs3 Cs 0.58637 0.15324 0.87929 1.00000
Cs4 Cs 0.41363 0.84676 0.12071 1.00000
Cs5 Cs 0.78056 0.93667 0.42136 1.00000
Cs6 Cs 0.21944 0.06333 0.57864 1.00000
Cs7 Cs 0.66803 0.24824 0.60403 1.00000
Cs8 Cs 0.33197 0.75176 0.39597 1.00000
Cs9 Cs 0.50000 0.50000 0.00000 1.00000
Cs10 Cs 0.90135 0.64966 0.09369 1.00000
Cs11 Cs 0.09865 0.35034 0.90631 1.00000
Cs12 Cs 0.87149 0.12420 0.14158 1.00000
Cs13 Cs 0.12851 0.87580 0.85842 1.00000
Ti1 Ti 0.72721 0.63532 0.77053 1.00000
Ti2 Ti 0.27279 0.36468 0.22947 1.00000
Sn1 Sn 0.86301 0.99416 0.72821 1.00000
Sn2 Sn 0.13699 0.00584 0.27179 1.00000
Sn3 Sn 0.45784 0.35192 0.41491 1.00000
Sn4 Sn 0.54216 0.64808 0.58509 1.00000
Sn5 Sn 0.55966 0.26591 0.17682 1.00000
Sn6 Sn 0.44034 0.73409 0.82318 1.00000
As1 As 0.53232 0.52952 0.26418 1.00000
As2 As 0.46768 0.47048 0.73582 1.00000
As3 As 0.72648 0.85791 0.88746 1.00000
As4 As 0.27352 0.14209 0.11254 1.00000
As5 As 0.16019 0.26474 0.38633 1.00000
As6 As 0.83981 0.73526 0.61367 1.00000
As7 As 0.56917 0.13382 0.33276 1.00000
As8 As 0.43083 0.86618 0.66724 1.00000
As9 As 0.84961 0.50248 0.83396 1.00000
As10 As 0.15039 0.49752 0.16604 1.00000
