LaSmI4
Alexandria ALEXAlex-ID: agm005277750 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1202_spg15
SmI2 LaI2
2023-05-05 07:27:54.154990
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005277750).
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 agm005277750
data_agm005277750
_cell_length_a 9.44186
_cell_length_b 9.44186
_cell_length_c 7.82092
_cell_angle_alpha 66.82157
_cell_angle_beta 66.82157
_cell_angle_gamma 111.65497
_cell_volume 462.30677
_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
La1 La 0.55200 0.44800 0.25000 1.00000
La2 La 0.44800 0.55200 0.75000 1.00000
Sm1 Sm 0.13441 0.86559 0.75000 1.00000
Sm2 Sm 0.86559 0.13441 0.25000 1.00000
I1 I 0.13388 0.53431 0.14134 1.00000
I2 I 0.85461 0.74161 0.27241 1.00000
I3 I 0.14539 0.25839 0.72759 1.00000
I4 I 0.46569 0.86612 0.35866 1.00000
I5 I 0.53431 0.13388 0.64134 1.00000
I6 I 0.25839 0.14539 0.22759 1.00000
I7 I 0.74161 0.85461 0.77241 1.00000
I8 I 0.86612 0.46569 0.85866 1.00000
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