Sm3HoFe2
Alexandria ALEXAlex-ID: agm016830865 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1134_spg12
HoFe2 Sm
2025-04-13 21:34:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016830865).
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
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# CIF generated by HEAS from Alexandria entry agm016830865
data_agm016830865
_cell_length_a 8.56702
_cell_length_b 8.56702
_cell_length_c 11.67484
_cell_angle_alpha 60.50903
_cell_angle_beta 119.49097
_cell_angle_gamma 155.31180
_cell_volume 309.12770
_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 0.15521 0.84479 0.74005 1.00000
Sm2 Sm 0.84479 0.15521 0.25995 1.00000
Sm3 Sm 0.42345 0.57655 0.57098 1.00000
Sm4 Sm 0.57655 0.42345 0.42902 1.00000
Sm5 Sm 0.57671 0.42329 0.93509 1.00000
Sm6 Sm 0.42329 0.57671 0.06491 1.00000
Ho1 Ho 0.84322 0.15678 0.75664 1.00000
Ho2 Ho 0.15678 0.84322 0.24336 1.00000
Fe1 Fe 0.23325 0.76675 0.54222 1.00000
Fe2 Fe 0.76675 0.23325 0.45778 1.00000
Fe3 Fe 0.76687 0.23313 0.95626 1.00000
Fe4 Fe 0.23313 0.76687 0.04374 1.00000
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