SmDy2Ni
Alexandria ALEXAlex-ID: agm069546754 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
Dy3Ni DyNi Sm
2025-01-22 22:04:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069546754).
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 agm069546754
data_agm069546754
_cell_length_a 6.32707
_cell_length_b 9.63967
_cell_length_c 13.86869
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 845.86291
_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
Sm1 Sm 0.06463 0.25000 0.35576 1.00000
Sm2 Sm 0.56463 0.75000 0.14424 1.00000
Sm3 Sm 0.93537 0.75000 0.64424 1.00000
Sm4 Sm 0.43537 0.25000 0.85576 1.00000
Sm5 Sm 0.27091 0.25000 0.10906 1.00000
Sm6 Sm 0.77091 0.75000 0.39094 1.00000
Sm7 Sm 0.72909 0.75000 0.89094 1.00000
Sm8 Sm 0.22909 0.25000 0.60906 1.00000
Dy1 Dy 0.59304 0.06971 0.28537 1.00000
Dy2 Dy 0.09304 0.93029 0.21463 1.00000
Dy3 Dy 0.40696 0.56971 0.71463 1.00000
Dy4 Dy 0.90696 0.43029 0.78537 1.00000
Dy5 Dy 0.40696 0.93029 0.71463 1.00000
Dy6 Dy 0.90696 0.06971 0.78537 1.00000
Dy7 Dy 0.59304 0.43029 0.28537 1.00000
Dy8 Dy 0.09304 0.56971 0.21463 1.00000
Dy9 Dy 0.25248 0.56785 0.46486 1.00000
Dy10 Dy 0.75248 0.43215 0.03514 1.00000
Dy11 Dy 0.74752 0.06785 0.53514 1.00000
Dy12 Dy 0.24752 0.93215 0.96486 1.00000
Dy13 Dy 0.74752 0.43215 0.53514 1.00000
Dy14 Dy 0.24752 0.56785 0.96486 1.00000
Dy15 Dy 0.25248 0.93215 0.46486 1.00000
Dy16 Dy 0.75248 0.06785 0.03514 1.00000
Ni1 Ni 0.84462 0.25000 0.17991 1.00000
Ni2 Ni 0.34462 0.75000 0.32009 1.00000
Ni3 Ni 0.15538 0.75000 0.82009 1.00000
Ni4 Ni 0.65538 0.25000 0.67991 1.00000
Ni5 Ni 0.48616 0.25000 0.43583 1.00000
Ni6 Ni 0.98616 0.75000 0.06417 1.00000
Ni7 Ni 0.51384 0.75000 0.56417 1.00000
Ni8 Ni 0.01384 0.25000 0.93583 1.00000
