AgH4N
Alexandria ALEXAlex-ID: agm003754232 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1722_spg13
H9N Ag H3N
2022-04-18 13:33:38.554453
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003754232).
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 agm003754232
data_agm003754232
_cell_length_a 2.76780
_cell_length_b 6.03725
_cell_length_c 7.54242
_cell_angle_alpha 116.82262
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 112.47287
_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
Ag1 Ag 0.48631 0.25000 0.75000 1.00000
Ag2 Ag 0.51369 0.75000 0.25000 1.00000
H1 H 0.70836 0.60268 0.57325 1.00000
H2 H 0.70836 0.89732 0.92675 1.00000
H3 H 0.01158 0.87644 0.11821 1.00000
H4 H 0.01158 0.62356 0.38179 1.00000
H5 H 0.98842 0.12356 0.88179 1.00000
H6 H 0.98842 0.37644 0.61821 1.00000
H7 H 0.29164 0.10268 0.07325 1.00000
H8 H 0.29164 0.39732 0.42675 1.00000
N1 N 0.00000 0.50000 0.50000 1.00000
N2 N 0.00000 0.00000 0.00000 1.00000
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