Sm8Fe4I
Alexandria ALEXAlex-ID: agm097304959 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_976_spg1
Sm2Fe2I Sm Fe
2025-06-21 10:32:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097304959).
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 agm097304959
data_agm097304959
_cell_length_a 3.92687
_cell_length_b 11.19104
_cell_length_c 9.50372
_cell_angle_alpha 57.57353
_cell_angle_beta 89.99753
_cell_angle_gamma 89.99303
_cell_volume 352.52834
_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 0.38468 0.23802 0.16670 1.00000
Sm2 Sm 0.38467 0.56278 0.26530 1.00000
Sm3 Sm 0.88466 0.89629 0.53884 1.00000
Sm4 Sm 0.38460 0.94333 0.84038 1.00000
Sm5 Sm 0.88461 0.84312 0.21566 1.00000
Sm6 Sm 0.88456 0.24176 0.48977 1.00000
Sm7 Sm 0.88487 0.51609 0.62345 1.00000
Sm8 Sm 0.38474 0.61888 0.85476 1.00000
Fe1 Fe 0.88457 0.70869 0.00598 1.00000
Fe2 Fe 0.88459 0.46751 0.11478 1.00000
Fe3 Fe 0.38465 0.71833 0.47080 1.00000
Fe4 Fe 0.38443 0.07307 0.51118 1.00000
I1 I 0.88438 0.17214 0.90240 1.00000
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