SmY3Zn2
Alexandria ALEXAlex-ID: agm012720135 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1850_spg12
Y2Zn YZn Sm
2025-04-14 15:11:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012720135).
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 agm012720135
data_agm012720135
_cell_length_a 3.71599
_cell_length_b 8.95018
_cell_length_c 10.77091
_cell_angle_alpha 70.99773
_cell_angle_beta 80.04608
_cell_angle_gamma 78.06177
_cell_volume 329.21762
_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 0.86135 0.55001 0.72867 1.00000
Sm2 Sm 0.13865 0.44999 0.27133 1.00000
Y1 Y 0.13857 0.95063 0.77139 1.00000
Y2 Y 0.86143 0.04937 0.22861 1.00000
Y3 Y 0.43237 0.20846 0.92615 1.00000
Y4 Y 0.56763 0.79154 0.07385 1.00000
Y5 Y 0.56892 0.28654 0.57616 1.00000
Y6 Y 0.43108 0.71346 0.42384 1.00000
Zn1 Zn 0.22393 0.60486 0.94784 1.00000
Zn2 Zn 0.77607 0.39514 0.05216 1.00000
Zn3 Zn 0.77311 0.89975 0.55348 1.00000
Zn4 Zn 0.22689 0.10025 0.44652 1.00000
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