Ti2S9
Alexandria ALEXAlex-ID: agm007757806 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9_42_spg2
Ti2S9
2024-04-11 05:14:45.373267
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007757806).
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 agm007757806
data_agm007757806
_cell_length_a 8.18911
_cell_length_b 8.57107
_cell_length_c 9.04595
_cell_angle_alpha 94.26453
_cell_angle_beta 101.59471
_cell_angle_gamma 99.50566
_cell_volume 609.62047
_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
Ti1 Ti 0.85150 0.91323 0.37029 1.00000
Ti2 Ti 0.63518 0.64250 0.08692 1.00000
Ti3 Ti 0.14850 0.08677 0.62971 1.00000
Ti4 Ti 0.36482 0.35750 0.91308 1.00000
S1 S 0.56218 0.96472 0.31607 1.00000
S2 S 0.94153 0.69314 0.21604 1.00000
S3 S 0.28757 0.06755 0.89227 1.00000
S4 S 0.11554 0.22603 0.99501 1.00000
S5 S 0.71243 0.93245 0.10773 1.00000
S6 S 0.88446 0.77397 0.00499 1.00000
S7 S 0.54923 0.36911 0.16908 1.00000
S8 S 0.02850 0.79900 0.58489 1.00000
S9 S 0.45077 0.63089 0.83092 1.00000
S10 S 0.97150 0.20100 0.41511 1.00000
S11 S 0.67841 0.37877 0.99627 1.00000
S12 S 0.86318 0.93555 0.64547 1.00000
S13 S 0.32159 0.62123 0.00373 1.00000
S14 S 0.13682 0.06445 0.35453 1.00000
S15 S 0.05847 0.30686 0.78396 1.00000
S16 S 0.43782 0.03528 0.68393 1.00000
S17 S 0.57604 0.72951 0.34354 1.00000
S18 S 0.42396 0.27049 0.65646 1.00000
