Sm2Fe2Cl
Alexandria ALEXAlex-ID: agm045209725 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2238_spg12
Sm2Fe2Cl
2024-12-21 00:35:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045209725).
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 agm045209725
data_agm045209725
_cell_length_a 8.47167
_cell_length_b 8.47167
_cell_length_c 8.47167
_cell_angle_alpha 26.75560
_cell_angle_beta 26.75560
_cell_angle_gamma 26.75560
_cell_volume 108.65141
_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 0.42243 0.42243 0.42243 1.00000
Sm2 Sm 0.57757 0.57757 0.57757 1.00000
Fe1 Fe 0.17052 0.17052 0.17052 1.00000
Fe2 Fe 0.82948 0.82948 0.82948 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
