Li2La2SmIn2
Alexandria ALEXAlex-ID: agm004553142 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_139_spg166
LaSm5In2 Li2SmIn La4SmIn3 Li2LaIn
2022-06-23 11:32:47.874127
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004553142).
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 agm004553142
data_agm004553142
_cell_length_a 4.93717
_cell_length_b 4.93717
_cell_length_c 9.39333
_cell_angle_alpha 74.76361
_cell_angle_beta 74.76361
_cell_angle_gamma 60.00000
_cell_volume 188.94197
_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
Li1 Li 0.60670 0.60670 0.17989 1.00000
Li2 Li 0.39330 0.39330 0.82011 1.00000
La1 La 0.13253 0.13253 0.60240 1.00000
La2 La 0.86747 0.86747 0.39760 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
In1 In 0.73318 0.73318 0.80045 1.00000
In2 In 0.26682 0.26682 0.19955 1.00000
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