Ac2YAu3
Alexandria ALEXAlex-ID: agm033112290 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
YAu AcAu
2025-04-14 15:23:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033112290).
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 agm033112290
data_agm033112290
_cell_length_a 14.87629
_cell_length_b 14.18568
_cell_length_c 7.67307
_cell_angle_alpha 79.73179
_cell_angle_beta 69.76868
_cell_angle_gamma 30.49953
_cell_volume 746.35826
_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 0.49770 0.49770 0.00230 1.00000
Ac2 Ac 0.91690 0.91690 0.08310 1.00000
Ac3 Ac 0.33310 0.33310 0.16690 1.00000
Ac4 Ac 0.75230 0.75230 0.24770 1.00000
Ac5 Ac 0.24770 0.24770 0.75230 1.00000
Ac6 Ac 0.16690 0.16690 0.33310 1.00000
Ac7 Ac 0.08310 0.08310 0.91690 1.00000
Ac8 Ac 0.00230 0.00230 0.49770 1.00000
Y1 Y 0.41770 0.41770 0.58230 1.00000
Y2 Y 0.83230 0.83230 0.66770 1.00000
Y3 Y 0.66770 0.66770 0.83230 1.00000
Y4 Y 0.58230 0.58230 0.41770 1.00000
Au1 Au 0.15914 0.66629 0.36288 1.00000
Au2 Au 0.66629 0.15914 0.81169 1.00000
Au3 Au 0.09086 0.58371 0.88712 1.00000
Au4 Au 0.58371 0.09086 0.43831 1.00000
Au5 Au 0.97903 0.52097 0.52097 1.00000
Au6 Au 0.52097 0.97903 0.97903 1.00000
Au7 Au 0.43831 0.88712 0.58371 1.00000
Au8 Au 0.88712 0.43831 0.09086 1.00000
Au9 Au 0.81169 0.36288 0.66629 1.00000
Au10 Au 0.36288 0.81169 0.15914 1.00000
Au11 Au 0.27097 0.72903 0.72903 1.00000
Au12 Au 0.72903 0.27097 0.27097 1.00000
