SmY2Mn3
Alexandria ALEXAlex-ID: agm012200902 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2245_spg2
SmY2 Mn
2024-06-04 17:05:20.338361
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012200902).
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 agm012200902
data_agm012200902
_cell_length_a 3.45218
_cell_length_b 9.09275
_cell_length_c 9.30314
_cell_angle_alpha 105.69593
_cell_angle_beta 100.71684
_cell_angle_gamma 100.99733
_cell_volume 267.10981
_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 0.57095 0.77083 0.34905 1.00000
Sm2 Sm 0.78361 0.82716 0.72491 1.00000
Y1 Y 0.78251 0.48996 0.05818 1.00000
Y2 Y 0.57178 0.10769 0.01587 1.00000
Y3 Y 0.56653 0.44037 0.67219 1.00000
Y4 Y 0.78797 0.15762 0.40167 1.00000
Mn1 Mn 0.98905 0.52726 0.43064 1.00000
Mn2 Mn 0.36558 0.07076 0.64328 1.00000
Mn3 Mn 0.33927 0.37619 0.28390 1.00000
Mn4 Mn 0.01543 0.22203 0.79027 1.00000
Mn5 Mn 0.02247 0.89030 0.13538 1.00000
Mn6 Mn 0.33114 0.70685 0.93818 1.00000
Get direct link