LiCe6In5
Alexandria ALEXAlex-ID: agm006138147 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_51_spg65
Ce2In CeIn Li13In5
2023-08-31 05:32:02.434604
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006138147).
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 agm006138147
data_agm006138147
_cell_length_a 4.61228
_cell_length_b 9.78998
_cell_length_c 7.29281
_cell_angle_alpha 90.00017
_cell_angle_beta 71.56545
_cell_angle_gamma 90.00057
_cell_volume 312.40266
_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
In1 In 0.66794 0.50000 0.66411 1.00000
In2 In 0.33563 1.00000 0.32873 1.00000
In3 In 0.00000 0.50000 0.00000 1.00000
In4 In 0.66437 0.00000 0.67127 1.00000
In5 In 0.33206 0.50000 0.33589 1.00000
Ce1 Ce 0.83533 0.74979 0.32929 1.00000
Ce2 Ce 0.83538 0.25021 0.32929 1.00000
Ce3 Ce 0.49992 0.25027 0.00000 1.00000
Ce4 Ce 0.50008 0.74973 1.00000 1.00000
Ce5 Ce 0.16462 0.74979 0.67071 1.00000
Ce6 Ce 0.16467 0.25021 0.67071 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
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