Ac3In9Ir2
Alexandria ALEXAlex-ID: agm005606084 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_15_spg71
AcIn3 AcIn4Ir AcIn2Ir
2023-06-14 04:30:35.712479
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606084).
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 agm005606084
data_agm005606084
_cell_length_a 4.82541
_cell_length_b 9.13390
_cell_length_c 9.13390
_cell_angle_alpha 75.26708
_cell_angle_beta 74.68366
_cell_angle_gamma 74.68365
_cell_volume 367.04273
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Ac2 Ac 0.67267 0.32733 0.32733 1.00000
Ac3 Ac 0.32733 0.67267 0.67267 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
In2 In 0.66396 0.96912 0.70297 1.00000
In3 In 0.33604 0.03088 0.29703 1.00000
In4 In 0.66396 0.70297 0.96912 1.00000
In5 In 0.33604 0.29703 0.03088 1.00000
In6 In 0.87948 0.84059 0.40045 1.00000
In7 In 0.12052 0.15941 0.59955 1.00000
In8 In 0.87948 0.40045 0.84059 1.00000
In9 In 0.12052 0.59955 0.15941 1.00000
Ir1 Ir 0.50000 0.28115 0.71885 1.00000
Ir2 Ir 0.50000 0.71885 0.28115 1.00000
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