TiV2(AgS3)2
Alexandria ALEXAlex-ID: agm004580308 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_259_spg12
TiS2 VAgS2
2022-06-25 02:47:42.751212
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004580308).
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 agm004580308
data_agm004580308
_cell_length_a 5.91310
_cell_length_b 5.91310
_cell_length_c 8.35962
_cell_angle_alpha 103.01991
_cell_angle_beta 103.01991
_cell_angle_gamma 120.40646
_cell_volume 224.69283
_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 0.00000 0.00000 0.50000 1.00000
V1 V 0.35501 0.64499 0.50000 1.00000
V2 V 0.64499 0.35501 0.50000 1.00000
Ag1 Ag 0.67876 0.32124 0.00000 1.00000
Ag2 Ag 0.32124 0.67876 0.00000 1.00000
S1 S 0.79486 0.79486 0.70021 1.00000
S2 S 0.10909 0.45599 0.68022 1.00000
S3 S 0.20514 0.20514 0.29979 1.00000
S4 S 0.45599 0.10909 0.68022 1.00000
S5 S 0.89091 0.54401 0.31978 1.00000
S6 S 0.54401 0.89091 0.31978 1.00000
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