Nd2Sm3Y
Alexandria ALEXAlex-ID: agm016545302 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4742_spg15
Nd4SmY NdSm5 Nd3SmY4
2025-04-15 10:58:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016545302).
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 agm016545302
data_agm016545302
_cell_length_a 9.62503
_cell_length_b 9.62503
_cell_length_c 10.29879
_cell_angle_alpha 57.64441
_cell_angle_beta 122.35559
_cell_angle_gamma 148.96245
_cell_volume 409.07359
_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 0.08356 0.91644 0.70933 1.00000
Nd2 Nd 0.91644 0.08356 0.29067 1.00000
Nd3 Nd 0.25007 0.74993 0.62561 1.00000
Nd4 Nd 0.74993 0.25007 0.37439 1.00000
Sm1 Sm 0.91751 0.08249 0.79352 1.00000
Sm2 Sm 0.08249 0.91751 0.20648 1.00000
Sm3 Sm 0.41670 0.58330 0.54225 1.00000
Sm4 Sm 0.58330 0.41670 0.45775 1.00000
Sm5 Sm 0.24922 0.75078 0.12357 1.00000
Sm6 Sm 0.75078 0.24922 0.87643 1.00000
Y1 Y 0.58310 0.41690 0.95879 1.00000
Y2 Y 0.41690 0.58310 0.04121 1.00000
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