Ac4AuN
Alexandria ALEXAlex-ID: agm005793064 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_220_spg63
Ac7Au3 Ac AcN
2023-07-30 21:56:09.169905
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005793064).
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 agm005793064
data_agm005793064
_cell_length_a 5.94449
_cell_length_b 9.03948
_cell_length_c 10.19913
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 128.61241
_cell_volume 428.23918
_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 0.55829 0.78691 0.75000 1.00000
Ac2 Ac 0.44171 0.21309 0.25000 1.00000
Ac3 Ac 0.37431 0.13504 0.75000 1.00000
Ac4 Ac 0.62569 0.86496 0.25000 1.00000
Ac5 Ac 0.96626 0.70730 0.04230 1.00000
Ac6 Ac 0.03374 0.29270 0.54230 1.00000
Ac7 Ac 0.96626 0.70730 0.45770 1.00000
Ac8 Ac 0.03374 0.29270 0.95770 1.00000
Au1 Au 0.87019 0.57920 0.75000 1.00000
Au2 Au 0.12981 0.42080 0.25000 1.00000
N1 N 0.94618 0.12881 0.75000 1.00000
N2 N 0.05382 0.87119 0.25000 1.00000
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