Nd6SmSn8
Alexandria ALEXAlex-ID: agm071697205 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_62_spg148
Nd3Sn4 SmSn NdSn
2024-10-07 07:59:31.467282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071697205).
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 agm071697205
data_agm071697205
_cell_length_a 8.24328
_cell_length_b 8.24328
_cell_length_c 8.24328
_cell_angle_alpha 68.12482
_cell_angle_beta 68.12482
_cell_angle_gamma 68.12482
_cell_volume 464.27338
_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 0.16072 0.66069 0.40165 1.00000
Nd2 Nd 0.40165 0.16072 0.66069 1.00000
Nd3 Nd 0.66069 0.40165 0.16072 1.00000
Nd4 Nd 0.83928 0.33931 0.59835 1.00000
Nd5 Nd 0.59835 0.83928 0.33931 1.00000
Nd6 Nd 0.33931 0.59835 0.83928 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.28751 0.28751 0.28751 1.00000
Sn2 Sn 0.71249 0.71249 0.71249 1.00000
Sn3 Sn 0.83500 0.03838 0.42797 1.00000
Sn4 Sn 0.42797 0.83500 0.03838 1.00000
Sn5 Sn 0.03838 0.42797 0.83500 1.00000
Sn6 Sn 0.16500 0.96162 0.57203 1.00000
Sn7 Sn 0.57203 0.16500 0.96162 1.00000
Sn8 Sn 0.96162 0.57203 0.16500 1.00000
Get direct link