Nd3Sm2YSb6
Alexandria ALEXAlex-ID: agm036714941 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_570_spg8
SmY3Sb4 Nd3SmSb4 NdSm3Sb4
2025-01-19 13:31:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036714941).
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 agm036714941
data_agm036714941
_cell_length_a 7.77134
_cell_length_b 7.77134
_cell_length_c 7.76741
_cell_angle_alpha 80.40437
_cell_angle_beta 99.59563
_cell_angle_gamma 60.00518
_cell_volume 383.03697
_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 0.16764 0.16764 0.00000 1.00000
Nd2 Nd 0.83236 0.83236 0.00000 1.00000
Nd3 Nd 0.50000 0.50000 0.00000 1.00000
Sm1 Sm 0.33360 0.33360 0.50000 1.00000
Sm2 Sm 0.66640 0.66640 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
Sb1 Sb 0.41226 0.91851 0.74470 1.00000
Sb2 Sb 0.24875 0.75125 0.25440 1.00000
Sb3 Sb 0.58774 0.08149 0.25530 1.00000
Sb4 Sb 0.08149 0.58774 0.74470 1.00000
Sb5 Sb 0.75125 0.24875 0.74560 1.00000
Sb6 Sb 0.91851 0.41226 0.25530 1.00000
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