Nd2Sm7Ru3
Alexandria ALEXAlex-ID: agm101548486 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_655_spg1
Sm5Ru2 Nd5Ru2 Nd
2025-05-17 12:00:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101548486).
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 agm101548486
data_agm101548486
_cell_length_a 6.36316
_cell_length_b 5.80497
_cell_length_c 10.57682
_cell_angle_alpha 79.97244
_cell_angle_beta 78.14747
_cell_angle_gamma 64.32515
_cell_volume 342.99656
_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 0.55230 0.78509 0.00173 1.00000
Nd2 Nd 0.25091 0.44583 0.92636 1.00000
Sm1 Sm 0.68555 0.36568 0.53551 1.00000
Sm2 Sm 0.59076 0.24025 0.22423 1.00000
Sm3 Sm 0.97263 0.58820 0.23546 1.00000
Sm4 Sm 0.23737 0.90155 0.35573 1.00000
Sm5 Sm 0.87501 0.15743 0.89055 1.00000
Sm6 Sm 0.36083 0.99815 0.66047 1.00000
Sm7 Sm 0.96639 0.67818 0.65902 1.00000
Ru1 Ru 0.08150 0.07708 0.10556 1.00000
Ru2 Ru 0.71500 0.88186 0.45083 1.00000
Ru3 Ru 0.21174 0.38072 0.45454 1.00000
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