Y6Ga2S3
Alexandria ALEXAlex-ID: agm005599790 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_239_spg12
Y2GaS Y4GaS2
2023-06-12 23:39:12.258308
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005599790).
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 agm005599790
data_agm005599790
_cell_length_a 6.75136
_cell_length_b 6.75952
_cell_length_c 7.22873
_cell_angle_alpha 80.94837
_cell_angle_beta 71.63744
_cell_angle_gamma 60.03992
_cell_volume 271.25503
_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 0.41452 0.66929 0.76040 1.00000
Y2 Y 0.74283 0.00000 0.76624 1.00000
Y3 Y 0.08381 0.33071 0.76040 1.00000
Y4 Y 0.25717 0.00000 0.23376 1.00000
Y5 Y 0.58548 0.33071 0.23960 1.00000
Y6 Y 0.91619 0.66929 0.23960 1.00000
Ga1 Ga 0.16533 0.66934 0.50000 1.00000
Ga2 Ga 0.83467 0.33066 0.50000 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
S2 S 0.33043 0.33914 0.00000 1.00000
S3 S 0.66957 0.66086 0.00000 1.00000
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