NdSm3(DyS3)2
Alexandria ALEXAlex-ID: agm034019106 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_562_spg12
NdDy4S5 Sm4DyS5 Nd2SmS3
2025-02-13 09:48:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034019106).
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 agm034019106
data_agm034019106
_cell_length_a 8.90989
_cell_length_b 8.90989
_cell_length_c 7.98813
_cell_angle_alpha 76.86609
_cell_angle_beta 103.13391
_cell_angle_gamma 154.18685
_cell_volume 268.52357
_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 0.50000 0.50000 0.00000 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.16473 0.83527 0.33314 1.00000
Sm3 Sm 0.83527 0.16473 0.66686 1.00000
Dy1 Dy 0.83452 0.16548 0.16787 1.00000
Dy2 Dy 0.16548 0.83452 0.83213 1.00000
S1 S 0.32940 0.67060 0.92129 1.00000
S2 S 0.66769 0.33231 0.59068 1.00000
S3 S 0.67060 0.32940 0.07871 1.00000
S4 S 0.00280 0.99720 0.74788 1.00000
S5 S 0.99720 0.00280 0.25212 1.00000
S6 S 0.33231 0.66769 0.40932 1.00000
Get direct link