Sm(Y2Fe)4
Alexandria ALEXAlex-ID: agm098066979 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_976_spg1
Sm2Y7 SmY8 YFe2
2025-06-15 06:40:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098066979).
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 agm098066979
data_agm098066979
_cell_length_a 3.82542
_cell_length_b 10.43332
_cell_length_c 9.73090
_cell_angle_alpha 60.80728
_cell_angle_beta 90.08685
_cell_angle_gamma 89.95150
_cell_volume 339.04737
_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 0.73300 0.02200 0.06566 1.00000
Y1 Y 0.73371 0.33307 0.12522 1.00000
Y2 Y 0.73028 0.64569 0.16319 1.00000
Y3 Y 0.72994 0.64010 0.78380 1.00000
Y4 Y 0.72666 0.00887 0.46589 1.00000
Y5 Y 0.23014 0.70700 0.43703 1.00000
Y6 Y 0.23114 0.33337 0.43511 1.00000
Y7 Y 0.23176 0.34254 0.79954 1.00000
Y8 Y 0.23065 0.93870 0.81427 1.00000
Fe1 Fe 0.73166 0.19958 0.70281 1.00000
Fe2 Fe 0.23140 0.54622 0.03499 1.00000
Fe3 Fe 0.73117 0.45750 0.54800 1.00000
Fe4 Fe 0.22849 0.82536 0.62450 1.00000
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