Nd6SmMg2
Alexandria ALEXAlex-ID: agm005789340 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_669_spg12
Nd2SmMg3 Nd3Sm5 Nd
2023-07-08 15:57:46.596583
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005789340).
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 agm005789340
data_agm005789340
_cell_length_a 3.52323
_cell_length_b 8.65961
_cell_length_c 10.33037
_cell_angle_alpha 78.09298
_cell_angle_beta 80.18147
_cell_angle_gamma 78.26245
_cell_volume 299.21669
_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 0.77208 0.34601 0.10984 1.00000
Nd2 Nd 0.22792 0.65399 0.89016 1.00000
Nd3 Nd 0.37146 0.70275 0.55433 1.00000
Nd4 Nd 0.04935 0.65031 0.25098 1.00000
Nd5 Nd 0.95065 0.34969 0.74902 1.00000
Nd6 Nd 0.62854 0.29725 0.44567 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.34690 0.01472 0.29148 1.00000
Mg2 Mg 0.65310 0.98528 0.70852 1.00000
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