Sm6MgFe2
Alexandria ALEXAlex-ID: agm005705654 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
Sm SmMg Fe
2023-07-08 16:50:21.257542
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705654).
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 agm005705654
data_agm005705654
_cell_length_a 8.62519
_cell_length_b 8.62519
_cell_length_c 8.62519
_cell_angle_alpha 107.05124
_cell_angle_beta 109.83329
_cell_angle_gamma 111.56082
_cell_volume 493.17616
_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 0.52257 0.71004 0.81253 1.00000
Sm2 Sm 0.47743 0.28996 0.18747 1.00000
Sm3 Sm 0.10249 0.28996 0.81253 1.00000
Sm4 Sm 0.89751 0.71004 0.18747 1.00000
Sm5 Sm 0.78482 0.77456 0.55938 1.00000
Sm6 Sm 0.21518 0.22544 0.44062 1.00000
Sm7 Sm 0.21518 0.77456 0.98974 1.00000
Sm8 Sm 0.78482 0.22544 0.01026 1.00000
Sm9 Sm 0.70217 0.39347 0.69130 1.00000
Sm10 Sm 0.29783 0.60653 0.30870 1.00000
Sm11 Sm 0.29783 0.98914 0.69130 1.00000
Sm12 Sm 0.70217 0.01086 0.30870 1.00000
Mg1 Mg 0.00000 0.50000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.50000 0.39408 0.89408 1.00000
Fe2 Fe 0.50000 0.60592 0.10592 1.00000
Fe3 Fe 0.61224 0.00000 0.61224 1.00000
Fe4 Fe 0.38776 1.00000 0.38776 1.00000
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