CeSn2Ir3
Alexandria ALEXAlex-ID: agm017011141 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4598_spg15
Sn2Ir CeIr2
2025-04-14 08:22:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017011141).
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 agm017011141
data_agm017011141
_cell_length_a 4.59402
_cell_length_b 4.59402
_cell_length_c 12.57550
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 229.84847
_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 0.00000 0.25000 1.00000
Ce2 Ce 0.00000 0.00000 0.75000 1.00000
Sn1 Sn 0.66667 0.33333 0.41114 1.00000
Sn2 Sn 0.33333 0.66667 0.58886 1.00000
Sn3 Sn 0.33333 0.66667 0.91114 1.00000
Sn4 Sn 0.66667 0.33333 0.08886 1.00000
Ir1 Ir 0.00000 0.00000 0.50000 1.00000
Ir2 Ir 0.00000 0.00000 0.00000 1.00000
Ir3 Ir 0.66667 0.33333 0.62992 1.00000
Ir4 Ir 0.33333 0.66667 0.12992 1.00000
Ir5 Ir 0.66667 0.33333 0.87008 1.00000
Ir6 Ir 0.33333 0.66667 0.37008 1.00000
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