Ti2AgS
Alexandria ALEXAlex-ID: agm002884792 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_185_spg122
Ti2S Ag
2023-03-26 23:33:35.616874
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002884792).
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 agm002884792
data_agm002884792
_cell_length_a 6.90024
_cell_length_b 6.90024
_cell_length_c 5.67270
_cell_angle_alpha 52.54069
_cell_angle_beta 52.54069
_cell_angle_gamma 90.00000
_cell_volume 137.77299
_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 0.50000 0.50000 0.00000 1.00000
S2 S 0.25000 0.75000 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.75000 0.25000 0.50000 1.00000
Ti1 Ti 0.58180 0.12500 0.25000 1.00000
Ti2 Ti 0.16820 0.62500 0.25000 1.00000
Ti3 Ti 0.37500 0.41820 0.75000 1.00000
Ti4 Ti 0.87500 0.83180 0.75000 1.00000
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