CsTi2V3S8
Alexandria ALEXAlex-ID: agm011664096 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_103_spg8
V2S3 Cs2VS3 Cs(TiS2)4 Cs(Ti3S4)3
2024-05-15 19:13:31.579831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011664096).
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 agm011664096
data_agm011664096
_cell_length_a 9.09587
_cell_length_b 9.09587
_cell_length_c 8.83169
_cell_angle_alpha 75.13459
_cell_angle_beta 75.13459
_cell_angle_gamma 21.49403
_cell_volume 258.43839
_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
Cs1 Cs 0.00076 0.00076 0.00170 1.00000
Ti1 Ti 0.16952 0.16952 0.50276 1.00000
Ti2 Ti 0.49769 0.49769 0.49737 1.00000
V1 V 0.21102 0.21102 0.13972 1.00000
V2 V 0.79189 0.79189 0.85643 1.00000
V3 V 0.83091 0.83091 0.50107 1.00000
S1 S 0.40640 0.40640 0.33690 1.00000
S2 S 0.58960 0.58960 0.66481 1.00000
S3 S 0.74622 0.74622 0.32434 1.00000
S4 S 0.25487 0.25487 0.67798 1.00000
S5 S 0.33757 0.33757 0.99230 1.00000
S6 S 0.66474 0.66474 0.00643 1.00000
S7 S 0.07917 0.07917 0.33271 1.00000
S8 S 0.91964 0.91964 0.66549 1.00000
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