Sm3(Zn2Ni)2
Alexandria ALEXAlex-ID: agm005609101 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_664_spg12
SmZnNi SmZn2
2023-06-27 17:39:01.886790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609101).
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 agm005609101
data_agm005609101
_cell_length_a 4.33786
_cell_length_b 5.78439
_cell_length_c 8.32059
_cell_angle_alpha 70.25958
_cell_angle_beta 74.89018
_cell_angle_gamma 67.97801
_cell_volume 180.01058
_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 0.32101 0.70926 0.64872 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Sm3 Sm 0.67899 0.29074 0.35128 1.00000
Zn1 Zn 0.28225 0.37844 0.05707 1.00000
Zn2 Zn 0.71775 0.62156 0.94293 1.00000
Zn3 Zn 0.03914 0.29327 0.62846 1.00000
Zn4 Zn 0.96086 0.70673 0.37154 1.00000
Ni1 Ni 0.39921 0.93378 0.26779 1.00000
Ni2 Ni 0.60079 0.06622 0.73221 1.00000
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