Cs5Sb13S22
Alexandria ALEXAlex-ID: agm008735243 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B13C22_0_spg1
Cs5Sb13S22
2024-08-05 01:28:32.095854
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008735243).
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 agm008735243
data_agm008735243
_cell_length_a 8.46995
_cell_length_b 9.20949
_cell_length_c 18.39809
_cell_angle_alpha 103.01055
_cell_angle_beta 91.21133
_cell_angle_gamma 109.17582
_cell_volume 1313.62980
_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 0.73662 0.76315 0.62648 1.00000
Cs2 Cs 0.26241 0.23970 0.37564 1.00000
Cs3 Cs 0.21935 0.65507 0.19512 1.00000
Cs4 Cs 0.78215 0.36888 0.80366 1.00000
Cs5 Cs 0.82314 0.93347 0.96586 1.00000
Sb1 Sb 0.31009 0.80202 0.81685 1.00000
Sb2 Sb 0.68602 0.20126 0.18643 1.00000
Sb3 Sb 0.21566 0.80796 0.61074 1.00000
Sb4 Sb 0.78638 0.19827 0.39426 1.00000
Sb5 Sb 0.41254 0.80485 0.42084 1.00000
Sb6 Sb 0.58126 0.19261 0.58186 1.00000
Sb7 Sb 0.73861 0.81744 0.21283 1.00000
Sb8 Sb 0.25276 0.18662 0.79769 1.00000
Sb9 Sb 0.33254 0.06780 0.01898 1.00000
Sb10 Sb 0.80391 0.65640 0.39111 1.00000
Sb11 Sb 0.18968 0.34097 0.61365 1.00000
Sb12 Sb 0.29377 0.55223 0.96328 1.00000
Sb13 Sb 0.73703 0.43609 0.02936 1.00000
S1 S 0.87553 0.71703 0.09978 1.00000
S2 S 0.09762 0.27444 0.90432 1.00000
S3 S 0.46446 0.96911 0.69626 1.00000
S4 S 0.54184 0.03873 0.30437 1.00000
S5 S 0.47616 0.35911 0.09127 1.00000
S6 S 0.48906 0.57712 0.87224 1.00000
S7 S 0.95481 0.83887 0.31202 1.00000
S8 S 0.03943 0.16524 0.69284 1.00000
S9 S 0.12902 0.70542 0.91861 1.00000
S10 S 0.89283 0.31027 0.09255 1.00000
S11 S 0.11814 0.57254 0.68382 1.00000
S12 S 0.89101 0.43492 0.32295 1.00000
S13 S 0.51920 0.58783 0.33227 1.00000
S14 S 0.47900 0.40760 0.66670 1.00000
S15 S 0.69486 0.96452 0.48048 1.00000
S16 S 0.30081 0.03261 0.51906 1.00000
S17 S 0.48657 0.94712 0.08953 1.00000
S18 S 0.49326 0.08517 0.90988 1.00000
S19 S 0.66555 0.36391 0.48664 1.00000
S20 S 0.33072 0.63717 0.51568 1.00000
S21 S 0.07489 0.90656 0.79379 1.00000
S22 S 0.91139 0.08371 0.20140 1.00000
