Dy3GeS2
Alexandria ALEXAlex-ID: agm017672739 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5_spg15
Dy3GeS2
2025-02-03 05:57:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017672739).
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
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# CIF generated by HEAS from Alexandria entry agm017672739
data_agm017672739
_cell_length_a 6.93170
_cell_length_b 6.93170
_cell_length_c 6.93260
_cell_angle_alpha 80.37934
_cell_angle_beta 99.62066
_cell_angle_gamma 59.95878
_cell_volume 271.74737
_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
Dy1 Dy 0.16624 0.66733 0.99906 1.00000
Dy2 Dy 0.33267 0.83376 0.49906 1.00000
Dy3 Dy 0.50000 0.00000 0.00000 1.00000
Dy4 Dy 0.83376 0.33267 0.00094 1.00000
Dy5 Dy 0.00000 0.50000 0.50000 1.00000
Dy6 Dy 0.66733 0.16624 0.50094 1.00000
Ge1 Ge 0.58393 0.58393 0.25000 1.00000
Ge2 Ge 0.41607 0.41607 0.75000 1.00000
S1 S 0.91677 0.91677 0.25000 1.00000
S2 S 0.24971 0.24971 0.25000 1.00000
S3 S 0.08323 0.08323 0.75000 1.00000
S4 S 0.75029 0.75029 0.75000 1.00000
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