SmThFe
Alexandria ALEXAlex-ID: agm005662695 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10337_spg71
Th2Fe7 Th7Fe3 Sm
2023-06-17 08:29:31.691283
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662695).
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 agm005662695
data_agm005662695
_cell_length_a 3.80231
_cell_length_b 6.17133
_cell_length_c 7.17780
_cell_angle_alpha 82.28302
_cell_angle_beta 74.64221
_cell_angle_gamma 72.05791
_cell_volume 154.26131
_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 0.00005 0.56245 0.31486 1.00000
Sm2 Sm 0.61895 0.09608 0.54342 1.00000
Th1 Th 0.23256 0.61611 0.79612 1.00000
Th2 Th 0.38644 0.04243 0.06217 1.00000
Fe1 Fe 0.94288 0.15996 0.83168 1.00000
Fe2 Fe 0.67613 0.49857 0.02660 1.00000
Get direct link