Ac3U2As2N5
Alexandria ALEXAlex-ID: agm004491663 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D5_0_spg139
AcUN3 UN2 AcAs
2022-06-17 16:48:56.768301
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004491663).
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 agm004491663
data_agm004491663
_cell_length_a 4.37870
_cell_length_b 4.37870
_cell_length_c 12.85903
_cell_angle_alpha 99.80280
_cell_angle_beta 99.80280
_cell_angle_gamma 90.00000
_cell_volume 239.29233
_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 0.17331 0.17330 0.34661 1.00000
Ac2 Ac 0.82669 0.82670 0.65339 1.00000
Ac3 Ac 0.00000 0.00000 0.00000 1.00000
U1 U 0.41486 0.41486 0.82972 1.00000
U2 U 0.58514 0.58514 0.17028 1.00000
As1 As 0.69917 0.69917 0.39834 1.00000
As2 As 0.30083 0.30083 0.60166 1.00000
N1 N 0.58357 0.08357 0.16714 1.00000
N2 N 0.41643 0.91643 0.83286 1.00000
N3 N 0.08357 0.58357 0.16714 1.00000
N4 N 0.91643 0.41643 0.83286 1.00000
N5 N 0.50000 0.50000 0.00000 1.00000
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