Sm(Y3Co)2
Alexandria ALEXAlex-ID: agm005697956 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
Y3Co Sm
2023-07-06 21:56:24.004425
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697956).
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 agm005697956
data_agm005697956
_cell_length_a 8.57237
_cell_length_b 8.57238
_cell_length_c 8.57237
_cell_angle_alpha 107.59221
_cell_angle_beta 108.91015
_cell_angle_gamma 111.94241
_cell_volume 484.19191
_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 0.00000 0.50000 0.50000 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.47540 0.28932 0.18608 1.00000
Y2 Y 0.52460 0.71068 0.81392 1.00000
Y3 Y 0.89676 0.71068 0.18608 1.00000
Y4 Y 0.10324 0.28932 0.81392 1.00000
Y5 Y 0.21564 0.76043 0.97608 1.00000
Y6 Y 0.78436 0.23957 0.02392 1.00000
Y7 Y 0.78436 0.76043 0.54479 1.00000
Y8 Y 0.21564 0.23957 0.45521 1.00000
Y9 Y 0.31564 0.99657 0.68093 1.00000
Y10 Y 0.68436 0.00343 0.31907 1.00000
Y11 Y 0.68436 0.36529 0.68093 1.00000
Y12 Y 0.31564 0.63471 0.31907 1.00000
Co1 Co 0.50000 0.38839 0.88839 1.00000
Co2 Co 0.50000 0.61161 0.11161 1.00000
Co3 Co 0.31140 1.00000 0.31140 1.00000
Co4 Co 0.68860 0.00000 0.68860 1.00000
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