Ac3SmDy8
Alexandria ALEXAlex-ID: agm006014748 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_277_spg71
SmDy5 Ac Dy
2023-09-12 16:57:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014748).
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 agm006014748
data_agm006014748
_cell_length_a 8.91316
_cell_length_b 8.91313
_cell_length_c 8.91316
_cell_angle_alpha 99.23112
_cell_angle_beta 137.12103
_cell_angle_gamma 96.13037
_cell_volume 448.27190
_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
Ac1 Ac 0.50000 0.75466 0.25466 1.00000
Ac2 Ac 0.50000 0.24534 0.74534 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.49366 0.24117 0.25251 1.00000
Dy2 Dy 0.50634 0.75885 0.74751 1.00000
Dy3 Dy 0.01134 0.75883 0.25249 1.00000
Dy4 Dy 0.98866 0.24115 0.74749 1.00000
Dy5 Dy 0.17676 0.42537 0.24862 1.00000
Dy6 Dy 0.82324 0.07186 0.24861 1.00000
Dy7 Dy 0.82325 0.57463 0.75139 1.00000
Dy8 Dy 0.17675 0.92814 0.75138 1.00000
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