Sm(ThMg3)2
Alexandria ALEXAlex-ID: agm005773868 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_648_spg12
Sm5Mg41 SmMg3 Th
2023-07-12 21:08:10.629974
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773868).
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 agm005773868
data_agm005773868
_cell_length_a 6.24102
_cell_length_b 6.24097
_cell_length_c 6.24098
_cell_angle_alpha 94.12307
_cell_angle_beta 94.11712
_cell_angle_gamma 94.11712
_cell_volume 241.10700
_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 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.65906 0.65919 0.65919 1.00000
Th2 Th 0.34094 0.34081 0.34081 1.00000
Mg1 Mg 0.16483 0.49989 0.83513 1.00000
Mg2 Mg 0.83517 0.16487 0.50011 1.00000
Mg3 Mg 0.83517 0.50011 0.16487 1.00000
Mg4 Mg 0.50000 0.16491 0.83509 1.00000
Mg5 Mg 0.16483 0.83513 0.49989 1.00000
Mg6 Mg 0.50000 0.83509 0.16491 1.00000
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