InS9
Alexandria ALEXAlex-ID: agm064580258 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_113_spg1
InS12 In2S3
2024-10-16 04:30:57.329393
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064580258).
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 agm064580258
data_agm064580258
_cell_length_a 4.93168
_cell_length_b 9.15705
_cell_length_c 8.86147
_cell_angle_alpha 78.11471
_cell_angle_beta 73.22771
_cell_angle_gamma 75.70225
_cell_volume 367.35517
_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 0.89413 0.01147 0.00820 1.00000
S1 S 0.24432 0.63363 0.96138 1.00000
S2 S 0.41233 0.07645 0.58059 1.00000
S3 S 0.08617 0.90457 0.39276 1.00000
S4 S 0.80742 0.37662 0.06883 1.00000
S5 S 0.40983 0.00563 0.98521 1.00000
S6 S 0.07305 0.48105 0.88271 1.00000
S7 S 0.34458 0.08095 0.36981 1.00000
S8 S 0.80504 0.90102 0.60332 1.00000
S9 S 0.41283 0.52858 0.14720 1.00000
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