Y6GeSe3S2
Alexandria ALEXAlex-ID: agm033196052 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Y4GeS3 Y2SeS Y4GeSe3
2025-01-21 23:58:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033196052).
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 agm033196052
data_agm033196052
_cell_length_a 9.09346
_cell_length_b 9.09346
_cell_length_c 8.13927
_cell_angle_alpha 76.15893
_cell_angle_beta 103.84107
_cell_angle_gamma 154.34226
_cell_volume 282.51684
_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 0.33655 0.66345 0.40354 1.00000
Y2 Y 0.67195 0.32805 0.07013 1.00000
Y3 Y 0.66345 0.33655 0.59646 1.00000
Y4 Y 0.00400 0.99600 0.74321 1.00000
Y5 Y 0.99600 0.00400 0.25679 1.00000
Y6 Y 0.32805 0.67195 0.92987 1.00000
Ge1 Ge 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.50000 0.50000 0.00000 1.00000
Se2 Se 0.83289 0.16711 0.66833 1.00000
Se3 Se 0.16711 0.83289 0.33167 1.00000
S1 S 0.83264 0.16736 0.16586 1.00000
S2 S 0.16736 0.83264 0.83414 1.00000
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