V3CoS6
Alexandria ALEXAlex-ID: agm005994850 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_42_spg36
Co9S8 Co3S4 V5S8
2023-09-22 10:47:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994850).
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 agm005994850
data_agm005994850
_cell_length_a 5.68770
_cell_length_b 7.54696
_cell_length_c 7.54696
_cell_angle_alpha 101.16969
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 317.81509
_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
V1 V 0.47772 0.93376 0.71645 1.00000
V2 V 0.97772 0.71645 0.93376 1.00000
V3 V 0.38375 0.39874 0.60126 1.00000
V4 V 0.88375 0.60126 0.39874 1.00000
V5 V 0.97772 0.06624 0.28355 1.00000
V6 V 0.47772 0.28355 0.06624 1.00000
Co1 Co 0.04893 0.20858 0.79142 1.00000
Co2 Co 0.54893 0.79142 0.20858 1.00000
S1 S 0.17949 0.69245 0.63665 1.00000
S2 S 0.67949 0.63665 0.69245 1.00000
S3 S 0.22742 0.45781 0.89772 1.00000
S4 S 0.72742 0.89772 0.45781 1.00000
S5 S 0.12396 0.02772 0.97228 1.00000
S6 S 0.65948 0.22896 0.77104 1.00000
S7 S 0.15948 0.77104 0.22896 1.00000
S8 S 0.62396 0.97228 0.02772 1.00000
S9 S 0.22742 0.10228 0.54219 1.00000
S10 S 0.72742 0.54219 0.10228 1.00000
S11 S 0.17949 0.36335 0.30755 1.00000
S12 S 0.67949 0.30755 0.36335 1.00000
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