Cr(CoS2)3
Alexandria ALEXAlex-ID: agm071241392 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_2671_spg212
Co3S4 CrS2
2024-08-07 07:57:35.457194
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071241392).
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 agm071241392
data_agm071241392
_cell_length_a 9.31899
_cell_length_b 9.31899
_cell_length_c 9.31899
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 809.29445
_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
Cr1 Cr 0.12500 0.12500 0.12500 1.00000
Cr2 Cr 0.37500 0.87500 0.62500 1.00000
Cr3 Cr 0.87500 0.62500 0.37500 1.00000
Cr4 Cr 0.62500 0.37500 0.87500 1.00000
Co1 Co 0.12500 0.66796 0.58204 1.00000
Co2 Co 0.37500 0.33204 0.08204 1.00000
Co3 Co 0.87500 0.16796 0.91796 1.00000
Co4 Co 0.62500 0.83204 0.41796 1.00000
Co5 Co 0.58204 0.12500 0.66796 1.00000
Co6 Co 0.08204 0.37500 0.33204 1.00000
Co7 Co 0.91796 0.87500 0.16796 1.00000
Co8 Co 0.41796 0.62500 0.83204 1.00000
Co9 Co 0.66796 0.58204 0.12500 1.00000
Co10 Co 0.33204 0.08204 0.37500 1.00000
Co11 Co 0.16796 0.91796 0.87500 1.00000
Co12 Co 0.83204 0.41796 0.62500 1.00000
S1 S 0.86246 0.37070 0.39902 1.00000
S2 S 0.63754 0.62930 0.89902 1.00000
S3 S 0.13754 0.87070 0.10098 1.00000
S4 S 0.36246 0.12930 0.60098 1.00000
S5 S 0.39902 0.86246 0.37070 1.00000
S6 S 0.89902 0.63754 0.62930 1.00000
S7 S 0.10098 0.13754 0.87070 1.00000
S8 S 0.60098 0.36246 0.12930 1.00000
S9 S 0.37070 0.39902 0.86246 1.00000
S10 S 0.62930 0.89902 0.63754 1.00000
S11 S 0.87070 0.10098 0.13754 1.00000
S12 S 0.12930 0.60098 0.36246 1.00000
S13 S 0.62070 0.61246 0.35098 1.00000
S14 S 0.87930 0.38754 0.85098 1.00000
S15 S 0.12070 0.88754 0.64902 1.00000
S16 S 0.37930 0.11246 0.14902 1.00000
S17 S 0.11246 0.14902 0.37930 1.00000
S18 S 0.88754 0.64902 0.12070 1.00000
S19 S 0.38754 0.85098 0.87930 1.00000
S20 S 0.61246 0.35098 0.62070 1.00000
S21 S 0.64902 0.12070 0.88754 1.00000
S22 S 0.14902 0.37930 0.11246 1.00000
S23 S 0.35098 0.62070 0.61246 1.00000
S24 S 0.85098 0.87930 0.38754 1.00000
