Ag2RuI
Alexandria ALEXAlex-ID: agm002881115 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_185_spg122
Ag Ru AgI
2016-01-12 20:17:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002881115).
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
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# CIF generated by HEAS from Alexandria entry agm002881115
data_agm002881115
_cell_length_a 8.07895
_cell_length_b 8.07895
_cell_length_c 6.30779
_cell_angle_alpha 50.17871
_cell_angle_beta 50.17871
_cell_angle_gamma 90.00000
_cell_volume 174.56914
_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
I1 I 0.00000 0.00000 0.00000 1.00000
I2 I 0.75000 0.25000 0.50000 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
Ru2 Ru 0.25000 0.75000 0.50000 1.00000
Ag1 Ag 0.59572 0.12500 0.25000 1.00000
Ag2 Ag 0.15428 0.62500 0.25000 1.00000
Ag3 Ag 0.37500 0.40428 0.75000 1.00000
Ag4 Ag 0.87500 0.84572 0.75000 1.00000
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