Y6GeC2S3
Alexandria ALEXAlex-ID: agm004594331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Y4Ge3 Y2CS Y3CS2 C
2022-06-26 18:09:39.074636
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004594331).
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 agm004594331
data_agm004594331
_cell_length_a 3.79674
_cell_length_b 7.91611
_cell_length_c 8.71806
_cell_angle_alpha 103.59753
_cell_angle_beta 102.57699
_cell_angle_gamma 90.00000
_cell_volume 248.20730
_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
Y1 Y 0.32927 0.88094 0.65854 1.00000
Y2 Y 0.67702 0.56351 0.35404 1.00000
Y3 Y 0.67073 0.11906 0.34146 1.00000
Y4 Y 0.01474 0.26344 0.02948 1.00000
Y5 Y 0.98526 0.73656 0.97052 1.00000
Y6 Y 0.32298 0.43649 0.64596 1.00000
Ge1 Ge 0.50000 0.00000 0.00000 1.00000
C1 C 0.82916 0.65872 0.65831 1.00000
C2 C 0.17084 0.34128 0.34169 1.00000
S1 S 0.50000 0.50000 0.00000 1.00000
S2 S 0.83567 0.16916 0.67134 1.00000
S3 S 0.16433 0.83084 0.32866 1.00000
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