TlGa(Co3S)2
Alexandria ALEXAlex-ID: agm013428906 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1485_spg12
Tl2S GaCo Co9S8 Co
2024-06-01 20:44:42.365283
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013428906).
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
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# CIF generated by HEAS from Alexandria entry agm013428906
data_agm013428906
_cell_length_a 4.03325
_cell_length_b 4.25259
_cell_length_c 9.14137
_cell_angle_alpha 87.84734
_cell_angle_beta 107.18737
_cell_angle_gamma 105.24823
_cell_volume 144.37846
_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
Tl1 Tl 0.22540 0.21298 0.03291 1.00000
Ga1 Ga 0.72542 0.21272 0.53275 1.00000
Co1 Co 0.40171 0.88736 0.29710 1.00000
Co2 Co 0.47429 0.62853 0.58212 1.00000
Co3 Co 0.40598 0.11407 0.73376 1.00000
Co4 Co 0.04586 0.31138 0.33214 1.00000
Co5 Co 0.97731 0.79705 0.48370 1.00000
Co6 Co 0.04979 0.53802 0.76853 1.00000
S1 S 0.62484 0.68824 0.82834 1.00000
S2 S 0.82673 0.73690 0.23750 1.00000
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