SmErIrI
Alexandria ALEXAlex-ID: agm005200871 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_1534_spg160
Er5Ir3 Er4Ir3 Sm3IrI3
2022-07-10 13:19:29.699352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005200871).
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 agm005200871
data_agm005200871
_cell_length_a 4.13922
_cell_length_b 4.13903
_cell_length_c 8.29624
_cell_angle_alpha 89.99586
_cell_angle_beta 104.45456
_cell_angle_gamma 120.00097
_cell_volume 117.86842
_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
Sm1 Sm 0.51652 0.15619 0.68810 1.00000
Er1 Er 0.08882 0.94228 0.04652 1.00000
Ir1 Ir 0.30774 0.55176 0.87495 1.00000
I1 I 0.96482 0.38056 0.36009 1.00000
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