SrDy6CoI12
Alexandria ALEXAlex-ID: agm022209554 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6D12_1_spg148
Dy3CoI3 Dy7CoI12 SrI2 Dy2Co2I
2024-08-25 21:14:46.405511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022209554).
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 agm022209554
data_agm022209554
_cell_length_a 9.76784
_cell_length_b 9.76784
_cell_length_c 9.76784
_cell_angle_alpha 106.21006
_cell_angle_beta 106.21006
_cell_angle_gamma 106.21006
_cell_volume 792.27343
_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
Sr1 Sr 0.50000 0.50000 0.50000 1.00000
Dy1 Dy 0.71273 0.98170 0.90924 1.00000
Dy2 Dy 0.01830 0.09076 0.28727 1.00000
Dy3 Dy 0.28727 0.01830 0.09076 1.00000
Dy4 Dy 0.09076 0.28727 0.01830 1.00000
Dy5 Dy 0.90924 0.71273 0.98170 1.00000
Dy6 Dy 0.98170 0.90924 0.71273 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
I1 I 0.13400 0.44701 0.36613 1.00000
I2 I 0.07500 0.22283 0.67708 1.00000
I3 I 0.67708 0.07500 0.22283 1.00000
I4 I 0.22283 0.67708 0.07500 1.00000
I5 I 0.63387 0.86600 0.55299 1.00000
I6 I 0.44701 0.36613 0.13400 1.00000
I7 I 0.77717 0.32292 0.92500 1.00000
I8 I 0.32292 0.92500 0.77717 1.00000
I9 I 0.92500 0.77717 0.32292 1.00000
I10 I 0.55299 0.63387 0.86600 1.00000
I11 I 0.86600 0.55299 0.63387 1.00000
I12 I 0.36613 0.13400 0.44701 1.00000
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