Ac2H5N2
Alexandria ALEXAlex-ID: agm006445832 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1862_spg6
AcH3N2 AcH3 AcH2N
2024-02-28 02:27:09.755927
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006445832).
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 agm006445832
data_agm006445832
_cell_length_a 4.08332
_cell_length_b 8.70406
_cell_length_c 10.22068
_cell_angle_alpha 94.14467
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 362.30820
_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 0.00000 0.98897 0.80528 1.00000
Ac2 Ac 0.00000 0.96882 0.25110 1.00000
Ac3 Ac 0.50000 0.74195 0.49243 1.00000
Ac4 Ac 0.50000 0.24253 0.54862 1.00000
H1 H 0.00000 0.48626 0.58559 1.00000
H2 H 0.00000 0.43838 0.42332 1.00000
H3 H 0.50000 0.89193 0.03393 1.00000
H4 H 0.50000 0.08360 0.03357 1.00000
H5 H 0.50000 0.98224 0.65334 1.00000
H6 H 0.50000 0.02558 0.39707 1.00000
H7 H 0.00000 0.90431 0.48321 1.00000
H8 H 0.00000 0.19827 0.40209 1.00000
H9 H 0.00000 0.31612 0.77644 1.00000
H10 H 0.50000 0.69230 0.19463 1.00000
N1 N 0.50000 0.98233 0.97332 1.00000
N2 N 0.00000 0.52986 0.49414 1.00000
N3 N 0.00000 0.23094 0.70004 1.00000
N4 N 0.50000 0.79561 0.25187 1.00000
Get direct link