Ac2H5N2
Alexandria ALEXAlex-ID: agm007299983 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_519_spg2
AcH3N2 AcH3 AcH2N
2024-02-08 08:42:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007299983).
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 agm007299983
data_agm007299983
_cell_length_a 4.54112
_cell_length_b 7.01520
_cell_length_c 4.63567
_cell_angle_alpha 99.54232
_cell_angle_beta 97.33292
_cell_angle_gamma 103.00633
_cell_volume 139.79199
_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 0.37407 0.77112 0.65454 1.00000
Ac2 Ac 0.64723 0.25568 0.33105 1.00000
H1 H 0.21035 0.39217 0.44002 1.00000
H2 H 0.79843 0.62090 0.54538 1.00000
H3 H 0.94071 0.20537 0.84167 1.00000
H4 H 0.03735 0.76636 0.13720 1.00000
H5 H 0.06081 0.98572 0.08217 1.00000
N1 N 0.72884 0.10028 0.80063 1.00000
N2 N 0.20219 0.90239 0.16735 1.00000
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