Th6Te3RuS2
Alexandria ALEXAlex-ID: agm004599262 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_205_spg12
Th4TeS3 ThTe Th2TeRu
2022-06-29 22:01:19.889191
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004599262).
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 agm004599262
data_agm004599262
_cell_length_a 4.11500
_cell_length_b 8.93797
_cell_length_c 9.84931
_cell_angle_alpha 107.64898
_cell_angle_beta 102.05777
_cell_angle_gamma 90.00000
_cell_volume 336.80776
_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
Th1 Th 0.34075 0.88818 0.68150 1.00000
Th2 Th 0.67677 0.56394 0.35354 1.00000
Th3 Th 0.65925 0.11182 0.31850 1.00000
Th4 Th 0.00764 0.21692 0.01529 1.00000
Th5 Th 0.99236 0.78308 0.98471 1.00000
Th6 Th 0.32323 0.43606 0.64646 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.83321 0.16447 0.66641 1.00000
Te3 Te 0.16679 0.83553 0.33359 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
S1 S 0.83303 0.66050 0.66607 1.00000
S2 S 0.16697 0.33950 0.33393 1.00000
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