Cr12Ga2(CoS8)3
Alexandria ALEXAlex-ID: agm005262971 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C12D24_0_spg119
Cr3GaS6 CrS2 Cr2S3 Co9S8
2024-10-09 00:36:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005262971).
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 agm005262971
data_agm005262971
_cell_length_a 15.44765
_cell_length_b 15.44765
_cell_length_c 15.44765
_cell_angle_alpha 153.83711
_cell_angle_beta 153.83711
_cell_angle_gamma 37.33641
_cell_volume 715.61932
_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 0.37801 0.12058 0.74256 1.00000
Cr2 Cr 0.70844 0.46206 0.75362 1.00000
Cr3 Cr 0.04683 0.78099 0.73416 1.00000
Cr4 Cr 0.04683 0.31268 0.26584 1.00000
Cr5 Cr 0.37801 0.63545 0.25744 1.00000
Cr6 Cr 0.70844 0.95482 0.24638 1.00000
Cr7 Cr 0.87942 0.62199 0.25744 1.00000
Cr8 Cr 0.21901 0.95317 0.26584 1.00000
Cr9 Cr 0.53794 0.29156 0.24638 1.00000
Cr10 Cr 0.36455 0.62199 0.74256 1.00000
Cr11 Cr 0.68732 0.95317 0.73416 1.00000
Cr12 Cr 0.04518 0.29156 0.75362 1.00000
Ga1 Ga 0.91968 0.41968 0.50000 1.00000
Ga2 Ga 0.58032 0.08032 0.50000 1.00000
Co1 Co 0.83031 0.83031 0.00000 1.00000
Co2 Co 0.16969 0.16969 0.00000 1.00000
Co3 Co 0.25000 0.75000 0.50000 1.00000
S1 S 0.45758 0.72130 0.26372 1.00000
S2 S 0.78947 0.05784 0.26837 1.00000
S3 S 0.12594 0.38685 0.26091 1.00000
S4 S 0.45758 0.19385 0.73628 1.00000
S5 S 0.78947 0.52110 0.73163 1.00000
S6 S 0.12594 0.86503 0.73909 1.00000
S7 S 0.27870 0.54242 0.73628 1.00000
S8 S 0.61315 0.87406 0.73909 1.00000
S9 S 0.94216 0.21053 0.73163 1.00000
S10 S 0.80615 0.54242 0.26372 1.00000
S11 S 0.13497 0.87406 0.26091 1.00000
S12 S 0.47890 0.21053 0.26837 1.00000
S13 S 0.96242 0.18870 0.22628 1.00000
S14 S 0.29326 0.52963 0.23638 1.00000
S15 S 0.62632 0.85556 0.22924 1.00000
S16 S 0.96242 0.73615 0.77372 1.00000
S17 S 0.29326 0.05688 0.76362 1.00000
S18 S 0.62632 0.39708 0.77076 1.00000
S19 S 0.14444 0.37368 0.77076 1.00000
S20 S 0.47037 0.70674 0.76362 1.00000
S21 S 0.81130 0.03758 0.77372 1.00000
S22 S 0.60292 0.37368 0.22924 1.00000
S23 S 0.94312 0.70674 0.23638 1.00000
S24 S 0.26385 0.03758 0.22628 1.00000
