Co(SI3)2
Alexandria ALEXAlex-ID: agm002311640 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_350_spg2
CoS2 I
2019-01-06 21:51:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002311640).
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 agm002311640
data_agm002311640
_cell_length_a 4.24100
_cell_length_b 8.14311
_cell_length_c 10.34398
_cell_angle_alpha 99.55616
_cell_angle_beta 97.16677
_cell_angle_gamma 85.46334
_cell_volume 348.89612
_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
I1 I 0.39464 0.65757 0.39428 1.00000
I2 I 0.60536 0.34243 0.60572 1.00000
I3 I 0.96311 0.37963 0.09996 1.00000
I4 I 0.87999 0.96805 0.67436 1.00000
I5 I 0.12001 0.03195 0.32564 1.00000
I6 I 0.03689 0.62037 0.90004 1.00000
S1 S 0.85198 0.31601 0.32266 1.00000
S2 S 0.14802 0.68399 0.67734 1.00000
Co1 Co 0.00000 0.50000 0.50000 1.00000
Get direct link