SmI3
Alexandria ALEXAlex-ID: agm071007253 · Space group: I4_132 (#214)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_5402_spg214
SmI3
2024-10-26 23:58:25.466572
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071007253).
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 agm071007253
data_agm071007253
_cell_length_a 11.02068
_cell_length_b 11.02068
_cell_length_c 11.02068
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 1030.39519
_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 0.25000 0.25000 0.25000 1.00000
Sm2 Sm 0.00000 0.25000 0.50000 1.00000
Sm3 Sm 0.50000 0.00000 0.25000 1.00000
Sm4 Sm 0.25000 0.50000 0.00000 1.00000
I1 I 0.48788 0.49394 0.24394 1.00000
I2 I 0.75000 0.00606 0.49394 1.00000
I3 I 0.75000 0.24394 0.25606 1.00000
I4 I 0.01212 0.25606 0.00606 1.00000
I5 I 0.25606 0.00606 0.01212 1.00000
I6 I 0.24394 0.25606 0.75000 1.00000
I7 I 0.00606 0.49394 0.75000 1.00000
I8 I 0.49394 0.24394 0.48788 1.00000
I9 I 0.24394 0.48788 0.49394 1.00000
I10 I 0.49394 0.75000 0.00606 1.00000
I11 I 0.25606 0.75000 0.24394 1.00000
I12 I 0.00606 0.01212 0.25606 1.00000
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