Ac12Ir5Au2
Alexandria ALEXAlex-ID: agm005669113 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_116_spg12
Ac3IrAu Ac2Ir
2023-06-25 20:39:22.488248
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669113).
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 agm005669113
data_agm005669113
_cell_length_a 8.30183
_cell_length_b 9.15849
_cell_length_c 10.54952
_cell_angle_alpha 105.00965
_cell_angle_beta 90.00000
_cell_angle_gamma 116.95120
_cell_volume 684.14711
_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 0.92209 0.84419 0.19260 1.00000
Ac2 Ac 0.06213 0.60879 0.84194 1.00000
Ac3 Ac 0.54666 0.60879 0.84194 1.00000
Ac4 Ac 0.11841 0.74335 0.50510 1.00000
Ac5 Ac 0.62495 0.74335 0.50510 1.00000
Ac6 Ac 0.56160 0.12320 0.82476 1.00000
Ac7 Ac 0.43840 0.87680 0.17524 1.00000
Ac8 Ac 0.88159 0.25665 0.49490 1.00000
Ac9 Ac 0.37505 0.25665 0.49490 1.00000
Ac10 Ac 0.93787 0.39121 0.15806 1.00000
Ac11 Ac 0.45334 0.39121 0.15806 1.00000
Ac12 Ac 0.07791 0.15581 0.80740 1.00000
Ir1 Ir 0.27250 0.54499 0.60462 1.00000
Ir2 Ir 0.25951 0.51902 0.01308 1.00000
Ir3 Ir 0.00000 0.00000 0.50000 1.00000
Ir4 Ir 0.74049 0.48098 0.98692 1.00000
Ir5 Ir 0.72750 0.45501 0.39538 1.00000
Au1 Au 0.76979 1.00000 1.00000 1.00000
Au2 Au 0.23021 0.00000 0.00000 1.00000
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