CeSm3In2
Alexandria ALEXAlex-ID: agm020248917 · Space group: Pmma (#51)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_208_spg26
Sm2In SmIn Ce
2025-03-11 08:57:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020248917).
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 agm020248917
data_agm020248917
_cell_length_a 5.50681
_cell_length_b 6.78188
_cell_length_c 9.56333
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 357.15687
_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
Ce1 Ce 0.00000 0.50041 0.49937 1.00000
Ce2 Ce 0.00000 0.00041 0.50063 1.00000
Sm1 Sm 0.50000 0.50013 0.00120 1.00000
Sm2 Sm 0.50000 0.00013 0.99880 1.00000
Sm3 Sm 0.00000 0.74908 0.83091 1.00000
Sm4 Sm 0.00000 0.24908 0.16909 1.00000
Sm5 Sm 0.50000 0.25127 0.66455 1.00000
Sm6 Sm 0.50000 0.75127 0.33545 1.00000
In1 In 0.00000 0.74961 0.16502 1.00000
In2 In 0.00000 0.24961 0.83498 1.00000
In3 In 0.50000 0.25075 0.33211 1.00000
In4 In 0.50000 0.75075 0.66789 1.00000
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