InAgI5
Alexandria ALEXAlex-ID: agm003759869 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_346_spg15
InAgI4 I
2022-04-19 14:50:26.823176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003759869).
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 agm003759869
data_agm003759869
_cell_length_a 10.20721
_cell_length_b 10.20721
_cell_length_c 11.44512
_cell_angle_alpha 57.30591
_cell_angle_beta 57.30591
_cell_angle_gamma 41.99853
_cell_volume 650.76519
_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 0.00000 0.00000 0.00000 1.00000
In2 In 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.36928 0.63072 0.25000 1.00000
Ag2 Ag 0.63072 0.36928 0.75000 1.00000
I1 I 0.12038 0.62202 0.20779 1.00000
I2 I 0.13825 0.61139 0.54234 1.00000
I3 I 0.62202 0.12038 0.70779 1.00000
I4 I 0.79064 0.20936 0.25000 1.00000
I5 I 0.38861 0.86175 0.95766 1.00000
I6 I 0.61139 0.13825 0.04234 1.00000
I7 I 0.20936 0.79064 0.75000 1.00000
I8 I 0.37798 0.87962 0.29221 1.00000
I9 I 0.86175 0.38861 0.45766 1.00000
I10 I 0.87962 0.37798 0.79221 1.00000
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