Nd7Sm12In
Alexandria ALEXAlex-ID: agm005808545 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_23_spg148
Nd3Sm5 NdSm5 Nd5SmIn2
2023-07-15 21:12:28.538843
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808545).
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 agm005808545
data_agm005808545
_cell_length_a 8.88870
_cell_length_b 8.88870
_cell_length_c 8.88870
_cell_angle_alpha 89.10737
_cell_angle_beta 89.10737
_cell_angle_gamma 89.10737
_cell_volume 702.03352
_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 0.21202 0.62264 0.76579 1.00000
Nd2 Nd 0.37736 0.23421 0.78798 1.00000
Nd3 Nd 0.23421 0.78798 0.37736 1.00000
Nd4 Nd 0.50000 0.50000 0.50000 1.00000
Nd5 Nd 0.76579 0.21202 0.62264 1.00000
Nd6 Nd 0.62264 0.76579 0.21202 1.00000
Nd7 Nd 0.78798 0.37736 0.23421 1.00000
Sm1 Sm 0.00465 0.33453 0.88678 1.00000
Sm2 Sm 0.66547 0.11322 0.99535 1.00000
Sm3 Sm 0.46258 0.12274 0.34204 1.00000
Sm4 Sm 0.87726 0.65796 0.53742 1.00000
Sm5 Sm 0.11322 0.99535 0.66547 1.00000
Sm6 Sm 0.65796 0.53742 0.87726 1.00000
Sm7 Sm 0.34204 0.46258 0.12274 1.00000
Sm8 Sm 0.88678 0.00465 0.33453 1.00000
Sm9 Sm 0.12274 0.34204 0.46258 1.00000
Sm10 Sm 0.53742 0.87726 0.65796 1.00000
Sm11 Sm 0.33453 0.88678 0.00465 1.00000
Sm12 Sm 0.99535 0.66547 0.11322 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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