Dy3Sc9(FeSb2)2
Alexandria ALEXAlex-ID: agm016448411 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D9_2_spg6
Sc3Fe Sc6FeSb2 ScFe2 DyScSb
2025-02-06 12:53:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016448411).
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 agm016448411
data_agm016448411
_cell_length_a 7.71146
_cell_length_b 4.02003
_cell_length_c 13.47557
_cell_angle_alpha 90.00000
_cell_angle_beta 89.71741
_cell_angle_gamma 90.00000
_cell_volume 417.74100
_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 0.89804 0.50000 0.50181 1.00000
Dy2 Dy 0.39370 0.50000 0.99901 1.00000
Dy3 Dy 0.80290 0.50000 0.19784 1.00000
Sc1 Sc 0.30911 0.50000 0.69420 1.00000
Sc2 Sc 0.30663 0.50000 0.30759 1.00000
Sc3 Sc 0.80787 0.50000 0.80470 1.00000
Sc4 Sc 0.76598 0.00000 0.99710 1.00000
Sc5 Sc 0.27044 0.00000 0.50190 1.00000
Sc6 Sc 0.61250 0.00000 0.38718 1.00000
Sc7 Sc 0.11360 0.00000 0.88349 1.00000
Sc8 Sc 0.11081 0.00000 0.11162 1.00000
Sc9 Sc 0.61430 0.00000 0.61474 1.00000
Fe1 Fe 0.99118 0.50000 0.99466 1.00000
Fe2 Fe 0.49384 0.50000 0.50078 1.00000
Sb1 Sb 0.01085 0.00000 0.33236 1.00000
Sb2 Sb 0.50287 0.00000 0.82747 1.00000
Sb3 Sb 0.49113 0.00000 0.17175 1.00000
Sb4 Sb 0.00446 0.00000 0.67178 1.00000
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