SmMnCo3Cu
Alexandria ALEXAlex-ID: agm005441465 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_82_spg187
SmCo2 Sm2MnCo16 SmCu2 Mn
2023-03-21 14:03:04.868654
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005441465).
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 agm005441465
data_agm005441465
_cell_length_a 5.01352
_cell_length_b 5.01352
_cell_length_c 4.05518
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 88.27274
_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 0.66667 0.33333 0.00000 1.00000
Mn1 Mn 0.33333 0.66667 0.00000 1.00000
Co1 Co 0.66792 0.83396 0.50000 1.00000
Co2 Co 0.16604 0.83396 0.50000 1.00000
Co3 Co 0.16604 0.33208 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
