Nd3SmMg
Alexandria ALEXAlex-ID: agm005756760 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4938_spg12
Nd2SmMg3 Nd3Sm5 Nd
2023-07-07 19:29:03.106379
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756760).
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 agm005756760
data_agm005756760
_cell_length_a 3.79229
_cell_length_b 6.87475
_cell_length_c 13.15711
_cell_angle_alpha 87.40360
_cell_angle_beta 90.00584
_cell_angle_gamma 74.00131
_cell_volume 329.36742
_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 0.14893 0.70219 0.44243 1.00000
Nd2 Nd 0.36531 0.26880 0.02787 1.00000
Nd3 Nd 0.04129 0.91831 0.18877 1.00000
Nd4 Nd 0.85107 0.29781 0.55757 1.00000
Nd5 Nd 0.95871 0.08169 0.81123 1.00000
Nd6 Nd 0.63469 0.73120 0.97213 1.00000
Sm1 Sm 0.22742 0.54444 0.75432 1.00000
Sm2 Sm 0.77258 0.45556 0.24568 1.00000
Mg1 Mg 0.55619 0.88569 0.62609 1.00000
Mg2 Mg 0.44381 0.11431 0.37391 1.00000
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