Ag4AuI12
Alexandria ALEXAlex-ID: agm099412095 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_1373_spg1
AuI3 I AgI
2025-04-12 16:51:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099412095).
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 agm099412095
data_agm099412095
_cell_length_a 5.93989
_cell_length_b 11.53274
_cell_length_c 11.43572
_cell_angle_alpha 87.76603
_cell_angle_beta 92.79816
_cell_angle_gamma 92.15187
_cell_volume 781.35528
_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
Ag1 Ag 0.59888 0.35901 0.06024 1.00000
Ag2 Ag 0.76993 0.07120 0.41883 1.00000
Ag3 Ag 0.71992 0.61069 0.06618 1.00000
Ag4 Ag 0.73294 0.41814 0.43964 1.00000
Au1 Au 0.65129 0.70960 0.73085 1.00000
I1 I 0.64783 0.93107 0.61972 1.00000
I2 I 0.79010 0.92125 0.23067 1.00000
I3 I 0.71531 0.48504 0.85125 1.00000
I4 I 0.38677 0.51901 0.22146 1.00000
I5 I 0.66407 0.82208 0.93572 1.00000
I6 I 0.59903 0.62535 0.51095 1.00000
I7 I 0.35997 0.14986 0.01444 1.00000
I8 I 0.71821 0.22242 0.60850 1.00000
I9 I 0.15404 0.72759 0.73070 1.00000
I10 I 0.07366 0.71529 0.22775 1.00000
I11 I 0.05937 0.18690 0.81821 1.00000
I12 I 0.85868 0.27550 0.26489 1.00000
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