Nd3(SmSn2)2
Alexandria ALEXAlex-ID: agm005681737 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_763_spg14
Nd2Sm3Sn4 Nd5Sn4
2023-06-29 00:47:12.939492
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681737).
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 agm005681737
data_agm005681737
_cell_length_a 8.16528
_cell_length_b 9.49740
_cell_length_c 8.50914
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 123.08035
_cell_volume 552.91254
_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 0.00000 0.50000 0.50000 1.00000
Nd2 Nd 0.50000 0.50000 0.00000 1.00000
Nd3 Nd 0.62836 0.19358 0.81914 1.00000
Nd4 Nd 0.87164 0.80642 0.31914 1.00000
Nd5 Nd 0.37164 0.80642 0.18086 1.00000
Nd6 Nd 0.12836 0.19358 0.68086 1.00000
Sm1 Sm 0.50684 0.24523 0.33022 1.00000
Sm2 Sm 0.99316 0.75477 0.83022 1.00000
Sm3 Sm 0.49316 0.75477 0.66978 1.00000
Sm4 Sm 0.00684 0.24523 0.16978 1.00000
Sn1 Sn 0.74376 0.08001 0.46262 1.00000
Sn2 Sn 0.75624 0.91999 0.96262 1.00000
Sn3 Sn 0.25624 0.91999 0.53738 1.00000
Sn4 Sn 0.24376 0.08001 0.03738 1.00000
Sn5 Sn 0.88146 0.51399 0.13334 1.00000
Sn6 Sn 0.61854 0.48601 0.63334 1.00000
Sn7 Sn 0.11854 0.48601 0.86666 1.00000
Sn8 Sn 0.38146 0.51399 0.36666 1.00000
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