Al2S3
Alexandria ALEXAlex-ID: agm005270944 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_3294_spg1
Al2S3
2023-05-12 17:57:01.919556
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005270944).
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 agm005270944
data_agm005270944
_cell_length_a 6.80432
_cell_length_b 7.37115
_cell_length_c 19.03131
_cell_angle_alpha 92.22739
_cell_angle_beta 77.48151
_cell_angle_gamma 54.57751
_cell_volume 742.94117
_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
S1 S 0.36492 0.22375 0.67807 1.00000
S2 S 0.50553 0.68191 0.64889 1.00000
S3 S 0.86735 0.63351 0.24786 1.00000
S4 S 0.71526 0.64315 0.95093 1.00000
S5 S 0.40618 0.38073 0.29147 1.00000
S6 S 0.00574 0.71619 0.64077 1.00000
S7 S 0.64915 0.21752 0.95161 1.00000
S8 S 0.04304 0.21233 0.33690 1.00000
S9 S 0.77568 0.95476 0.40782 1.00000
S10 S 0.28407 0.14994 0.11393 1.00000
S11 S 0.28642 0.84411 0.47312 1.00000
S12 S 0.90303 0.84414 0.08384 1.00000
S13 S 0.16620 0.69831 0.81951 1.00000
S14 S 0.53861 0.12554 0.56018 1.00000
S15 S 0.85063 0.24874 0.75323 1.00000
S16 S 0.49317 0.55304 0.13121 1.00000
S17 S 0.96608 0.52620 0.48684 1.00000
S18 S 0.47400 0.03334 0.82545 1.00000
Al1 Al 0.59653 0.20939 0.06848 1.00000
Al2 Al 0.60798 0.87586 0.70478 1.00000
Al3 Al 0.97893 0.57879 0.36474 1.00000
Al4 Al 0.61742 0.76374 0.06926 1.00000
Al5 Al 0.53785 0.79969 0.53722 1.00000
Al6 Al 0.20859 0.27321 0.23424 1.00000
Al7 Al 0.48161 0.31516 0.77625 1.00000
Al8 Al 0.09532 0.87446 0.72062 1.00000
Al9 Al 0.04095 0.80083 0.18904 1.00000
Al10 Al 0.75540 0.88727 0.90033 1.00000
Al11 Al 0.80634 0.11218 0.30618 1.00000
Al12 Al 0.97804 0.82231 0.52310 1.00000
