Sm2NiSn4
Alexandria ALEXAlex-ID: agm005289436 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_596_spg62
Sm2NiSn4
2022-12-13 02:10:54.310739
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289436).
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 agm005289436
data_agm005289436
_cell_length_a 4.50450
_cell_length_b 8.97939
_cell_length_c 17.06098
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 690.07620
_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
Sm1 Sm 0.25000 0.60877 0.64684 1.00000
Sm2 Sm 0.25000 0.36549 0.14859 1.00000
Sm3 Sm 0.25000 0.89123 0.14684 1.00000
Sm4 Sm 0.75000 0.10877 0.85316 1.00000
Sm5 Sm 0.75000 0.63451 0.85141 1.00000
Sm6 Sm 0.25000 0.13451 0.64859 1.00000
Sm7 Sm 0.75000 0.86549 0.35141 1.00000
Sm8 Sm 0.75000 0.39123 0.35316 1.00000
Ni1 Ni 0.75000 0.35475 0.56175 1.00000
Ni2 Ni 0.25000 0.64525 0.43825 1.00000
Ni3 Ni 0.75000 0.14525 0.06175 1.00000
Ni4 Ni 0.25000 0.85475 0.93825 1.00000
Sn1 Sn 0.25000 0.60876 0.00855 1.00000
Sn2 Sn 0.75000 0.87097 0.00886 1.00000
Sn3 Sn 0.75000 0.62740 0.17475 1.00000
Sn4 Sn 0.25000 0.12740 0.32525 1.00000
Sn5 Sn 0.75000 0.39124 0.99145 1.00000
Sn6 Sn 0.75000 0.37061 0.70974 1.00000
Sn7 Sn 0.75000 0.62903 0.50886 1.00000
Sn8 Sn 0.25000 0.87061 0.79026 1.00000
Sn9 Sn 0.75000 0.10876 0.49145 1.00000
Sn10 Sn 0.25000 0.37260 0.82525 1.00000
Sn11 Sn 0.75000 0.12939 0.20974 1.00000
Sn12 Sn 0.25000 0.37097 0.49114 1.00000
Sn13 Sn 0.25000 0.62939 0.29026 1.00000
Sn14 Sn 0.75000 0.87260 0.67475 1.00000
Sn15 Sn 0.25000 0.89124 0.50855 1.00000
Sn16 Sn 0.25000 0.12903 0.99114 1.00000
