SmY2Co
Alexandria ALEXAlex-ID: agm069211897 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
SmY2Co
2025-01-22 10:35:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069211897).
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 agm069211897
data_agm069211897
_cell_length_a 6.34128
_cell_length_b 9.56159
_cell_length_c 13.99787
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 848.72843
_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 0.06704 0.25000 0.85341 1.00000
Sm2 Sm 0.56704 0.75000 0.64659 1.00000
Sm3 Sm 0.93296 0.75000 0.14659 1.00000
Sm4 Sm 0.43296 0.25000 0.35341 1.00000
Sm5 Sm 0.26609 0.25000 0.60349 1.00000
Sm6 Sm 0.76609 0.75000 0.89651 1.00000
Sm7 Sm 0.73391 0.75000 0.39651 1.00000
Sm8 Sm 0.23391 0.25000 0.10349 1.00000
Y1 Y 0.59818 0.07196 0.78688 1.00000
Y2 Y 0.09818 0.92804 0.71312 1.00000
Y3 Y 0.40182 0.57196 0.21312 1.00000
Y4 Y 0.90182 0.42804 0.28688 1.00000
Y5 Y 0.40182 0.92804 0.21312 1.00000
Y6 Y 0.90182 0.07196 0.28688 1.00000
Y7 Y 0.59818 0.42804 0.78688 1.00000
Y8 Y 0.09818 0.57196 0.71312 1.00000
Y9 Y 0.25937 0.57128 0.96196 1.00000
Y10 Y 0.75937 0.42872 0.53804 1.00000
Y11 Y 0.74063 0.07128 0.03804 1.00000
Y12 Y 0.24063 0.92872 0.46196 1.00000
Y13 Y 0.74063 0.42872 0.03804 1.00000
Y14 Y 0.24063 0.57128 0.46196 1.00000
Y15 Y 0.25937 0.92872 0.96196 1.00000
Y16 Y 0.75937 0.07128 0.53804 1.00000
Co1 Co 0.87227 0.25000 0.68381 1.00000
Co2 Co 0.37227 0.75000 0.81619 1.00000
Co3 Co 0.12773 0.75000 0.31619 1.00000
Co4 Co 0.62773 0.25000 0.18381 1.00000
Co5 Co 0.46604 0.25000 0.93511 1.00000
Co6 Co 0.96604 0.75000 0.56489 1.00000
Co7 Co 0.53396 0.75000 0.06489 1.00000
Co8 Co 0.03396 0.25000 0.43511 1.00000
