SmIO
Alexandria ALEXAlex-ID: agm002176571 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_49_spg12
SmIO
2018-06-17 05:31:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002176571).
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 agm002176571
data_agm002176571
_cell_length_a 4.15218
_cell_length_b 7.99458
_cell_length_c 11.02862
_cell_angle_alpha 94.09742
_cell_angle_beta 100.89325
_cell_angle_gamma 90.00062
_cell_volume 358.54456
_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
I1 I 0.10998 0.34683 0.22067 1.00000
I2 I 0.41316 0.16017 0.82857 1.00000
I3 I 0.58684 0.83983 0.17143 1.00000
I4 I 0.89002 0.65317 0.77933 1.00000
O1 O 0.24594 0.62755 0.49191 1.00000
O2 O 0.75268 0.87868 0.50540 1.00000
O3 O 0.75406 0.37245 0.50809 1.00000
O4 O 0.24732 0.12132 0.49460 1.00000
Sm1 Sm 0.30151 0.38633 0.60266 1.00000
Sm2 Sm 0.69754 0.11564 0.39542 1.00000
Sm3 Sm 0.69849 0.61367 0.39734 1.00000
Sm4 Sm 0.30246 0.88436 0.60458 1.00000
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