In7Sb4S13
Alexandria ALEXAlex-ID: agm008587441 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B7C13_3_spg12
InSbS3 In2S3 Sb
2024-05-05 23:42:24.154029
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008587441).
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 agm008587441
data_agm008587441
_cell_length_a 6.87914
_cell_length_b 6.87914
_cell_length_c 22.96071
_cell_angle_alpha 81.58007
_cell_angle_beta 81.58007
_cell_angle_gamma 33.35898
_cell_volume 590.45885
_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
In1 In 0.50000 0.50000 0.50000 1.00000
In2 In 0.64938 0.64938 0.96434 1.00000
In3 In 0.35062 0.35062 0.03566 1.00000
In4 In 0.00031 0.00031 0.66432 1.00000
In5 In 0.99969 0.99969 0.33568 1.00000
In6 In 0.24701 0.24701 0.76830 1.00000
In7 In 0.75299 0.75299 0.23170 1.00000
Sb1 Sb 0.74525 0.74525 0.58734 1.00000
Sb2 Sb 0.25475 0.25475 0.41266 1.00000
Sb3 Sb 0.95083 0.95083 0.87601 1.00000
Sb4 Sb 0.04917 0.04917 0.12399 1.00000
S1 S 0.13542 0.13542 0.54745 1.00000
S2 S 0.86458 0.86458 0.45255 1.00000
S3 S 0.38411 0.38411 0.62990 1.00000
S4 S 0.61589 0.61589 0.37010 1.00000
S5 S 0.28019 0.28019 0.93079 1.00000
S6 S 0.71981 0.71981 0.06921 1.00000
S7 S 0.62809 0.62809 0.68364 1.00000
S8 S 0.37191 0.37191 0.31636 1.00000
S9 S 0.58194 0.58194 0.85888 1.00000
S10 S 0.41806 0.41806 0.14112 1.00000
S11 S 0.00000 0.00000 0.00000 1.00000
S12 S 0.90570 0.90570 0.77327 1.00000
S13 S 0.09430 0.09430 0.22673 1.00000
