Sr3Dy
Alexandria ALEXAlex-ID: agm005498780 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_3_spg194
Dy Sr
2023-03-19 04:22:47.025618
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005498780).
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 agm005498780
data_agm005498780
_cell_length_a 8.08722
_cell_length_b 8.08722
_cell_length_c 6.55042
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 371.02058
_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 0.17181 0.34361 0.25000 1.00000
Sr2 Sr 0.65639 0.82819 0.25000 1.00000
Sr3 Sr 0.17181 0.82819 0.25000 1.00000
Sr4 Sr 0.82819 0.65639 0.75000 1.00000
Sr5 Sr 0.34361 0.17181 0.75000 1.00000
Sr6 Sr 0.82819 0.17181 0.75000 1.00000
Dy1 Dy 0.33333 0.66667 0.75000 1.00000
Dy2 Dy 0.66667 0.33333 0.25000 1.00000
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