Sm6C2I3F
Alexandria ALEXAlex-ID: agm004628131 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Sm2CI Sm3CI3 SmF3 Sm
2022-06-26 17:25:11.446414
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004628131).
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 agm004628131
data_agm004628131
_cell_length_a 6.68727
_cell_length_b 6.68727
_cell_length_c 7.92707
_cell_angle_alpha 98.08935
_cell_angle_beta 98.08935
_cell_angle_gamma 120.07341
_cell_volume 294.34674
_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 0.94250 0.59275 0.82668 1.00000
Sm2 Sm 0.70849 0.70849 0.17341 1.00000
Sm3 Sm 0.05750 0.40725 0.17332 1.00000
Sm4 Sm 0.59275 0.94250 0.82668 1.00000
Sm5 Sm 0.29151 0.29151 0.82659 1.00000
Sm6 Sm 0.40725 0.05750 0.17332 1.00000
C1 C 0.33389 0.66611 0.00000 1.00000
C2 C 0.66611 0.33389 0.00000 1.00000
I1 I 0.16670 0.83330 0.50000 1.00000
I2 I 0.83330 0.16670 0.50000 1.00000
I3 I 0.50000 0.50000 0.50000 1.00000
F1 F 0.00000 0.00000 0.00000 1.00000
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