Ta4C2S5
Alexandria ALEXAlex-ID: agm003360071 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_178_spg71
Ta27S50 Ta2CS2 C
2022-02-05 00:50:14.131265
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003360071).
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 agm003360071
data_agm003360071
_cell_length_a 3.30513
_cell_length_b 6.84439
_cell_length_c 8.41106
_cell_angle_alpha 114.00829
_cell_angle_beta 101.33090
_cell_angle_gamma 90.00000
_cell_volume 169.74246
_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
Ta1 Ta 0.00000 0.29485 0.00000 1.00000
Ta2 Ta 0.69403 0.69403 0.38806 1.00000
Ta3 Ta 1.00000 0.70515 1.00000 1.00000
Ta4 Ta 0.30597 0.30597 0.61194 1.00000
C1 C 0.45148 0.45148 0.90295 1.00000
C2 C 0.54852 0.54852 0.09705 1.00000
S1 S 0.83203 0.06236 0.66406 1.00000
S2 S 0.83203 0.60169 0.66406 1.00000
S3 S 0.16797 0.39831 0.33594 1.00000
S4 S 0.16797 0.93764 0.33594 1.00000
S5 S 0.50000 0.00000 0.00000 1.00000
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