NdSmDy5
Alexandria ALEXAlex-ID: agm005757591 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_370_spg15
SmDy5 Nd3Dy5 NdSm3Dy4
2023-07-14 14:33:58.877258
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757591).
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 agm005757591
data_agm005757591
_cell_length_a 6.78998
_cell_length_b 6.78998
_cell_length_c 13.78625
_cell_angle_alpha 61.32450
_cell_angle_beta 61.32450
_cell_angle_gamma 60.23100
_cell_volume 459.05004
_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
Nd1 Nd 0.72297 0.27703 0.75000 1.00000
Nd2 Nd 0.27703 0.72297 0.25000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Dy1 Dy 0.16769 0.39322 0.74947 1.00000
Dy2 Dy 0.64944 0.69360 0.50070 1.00000
Dy3 Dy 0.39322 0.16769 0.24947 1.00000
Dy4 Dy 0.16223 0.83777 0.75000 1.00000
Dy5 Dy 0.30640 0.35056 0.99930 1.00000
Dy6 Dy 0.69360 0.64944 0.00070 1.00000
Dy7 Dy 0.83777 0.16223 0.25000 1.00000
Dy8 Dy 0.60678 0.83231 0.75053 1.00000
Dy9 Dy 0.35056 0.30640 0.49930 1.00000
Dy10 Dy 0.83231 0.60678 0.25053 1.00000
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