In(Ag2Au)2
Alexandria ALEXAlex-ID: agm003441012 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_911_spg1
Ag7Au2 Ag InAu
2022-02-16 01:35:27.520511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003441012).
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 agm003441012
data_agm003441012
_cell_length_a 7.73952
_cell_length_b 7.73439
_cell_length_c 7.71836
_cell_angle_alpha 135.99272
_cell_angle_beta 113.73782
_cell_angle_gamma 82.80510
_cell_volume 283.86087
_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 0.79256 0.51571 0.25579 1.00000
In2 In 0.17688 0.33865 0.20196 1.00000
Ag1 Ag 0.92872 0.13873 0.25326 1.00000
Ag2 Ag 0.41093 0.63691 0.24149 1.00000
Ag3 Ag 0.93881 0.64947 0.76162 1.00000
Ag4 Ag 0.78326 0.00303 0.74477 1.00000
Ag5 Ag 0.30114 0.01897 0.26513 1.00000
Ag6 Ag 0.40658 0.12512 0.75104 1.00000
Ag7 Ag 0.52922 0.75202 0.75168 1.00000
Ag8 Ag 0.04539 0.76164 0.25320 1.00000
Au1 Au 0.66443 0.38890 0.75849 1.00000
Au2 Au 0.66887 0.88923 0.25444 1.00000
Au3 Au 0.55486 0.26555 0.26087 1.00000
Au4 Au 0.04836 0.26606 0.74625 1.00000
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