SrTa2VS8
Alexandria ALEXAlex-ID: agm004895239 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_37_spg148
TaS2 TaS3 Sr17(Ta5S21)2 V5S8
2023-01-06 11:40:58.143441
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004895239).
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 agm004895239
data_agm004895239
_cell_length_a 6.19822
_cell_length_b 6.19822
_cell_length_c 9.11894
_cell_angle_alpha 70.13202
_cell_angle_beta 70.13202
_cell_angle_gamma 60.00000
_cell_volume 279.05762
_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
Sr1 Sr 0.50000 0.50000 0.50000 1.00000
Ta1 Ta 0.25867 0.25867 0.22399 1.00000
Ta2 Ta 0.74133 0.74133 0.77601 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
S1 S 0.17032 0.17032 0.48902 1.00000
S2 S 0.64604 0.27239 0.16861 1.00000
S3 S 0.82968 0.82968 0.51098 1.00000
S4 S 0.91296 0.64604 0.16861 1.00000
S5 S 0.08704 0.35396 0.83139 1.00000
S6 S 0.27239 0.91296 0.16861 1.00000
S7 S 0.72761 0.08704 0.83139 1.00000
S8 S 0.35396 0.72761 0.83139 1.00000
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