In2Sn2Ir3
Alexandria ALEXAlex-ID: agm005559577 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_217_spg2
SnIr In2Ir
2023-06-07 06:15:24.107841
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005559577).
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 agm005559577
data_agm005559577
_cell_length_a 4.25839
_cell_length_b 5.59615
_cell_length_c 6.68677
_cell_angle_alpha 106.69441
_cell_angle_beta 108.56733
_cell_angle_gamma 90.00000
_cell_volume 143.95267
_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 0.82353 0.17595 0.64706 1.00000
In2 In 0.17647 0.82405 0.35294 1.00000
Sn1 Sn 0.56370 0.31285 0.12739 1.00000
Sn2 Sn 0.43630 0.68715 0.87261 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.78327 0.65197 0.56654 1.00000
Ir3 Ir 0.21673 0.34803 0.43346 1.00000
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