Sr9Dy3Sc2
Alexandria ALEXAlex-ID: agm012564052 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1603_spg1
Sr Dy Sc
2024-07-19 17:57:54.580186
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012564052).
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 agm012564052
data_agm012564052
_cell_length_a 8.15189
_cell_length_b 7.58085
_cell_length_c 11.04433
_cell_angle_alpha 77.95766
_cell_angle_beta 68.22789
_cell_angle_gamma 74.30940
_cell_volume 605.71886
_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 0.50106 0.01633 0.45363 1.00000
Sr2 Sr 0.11784 0.26877 0.08243 1.00000
Sr3 Sr 0.88252 0.72127 0.85546 1.00000
Sr4 Sr 0.36207 0.71986 0.86513 1.00000
Sr5 Sr 0.63252 0.26430 0.08124 1.00000
Sr6 Sr 0.05996 0.21919 0.73406 1.00000
Sr7 Sr 0.00568 0.99242 0.45557 1.00000
Sr8 Sr 0.45041 0.78111 0.18634 1.00000
Sr9 Sr 0.56129 0.20795 0.73687 1.00000
Dy1 Dy 0.93291 0.76370 0.20421 1.00000
Dy2 Dy 0.78079 0.60404 0.56376 1.00000
Dy3 Dy 0.18208 0.43119 0.36142 1.00000
Sc1 Sc 0.70644 0.42558 0.36048 1.00000
Sc2 Sc 0.32443 0.58429 0.55941 1.00000
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