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Ag(NO)3

Alexandria ALEX

Alex-ID: agm005285927 · Space group: Pnnm (#58)

Alexandria Database API

Basic Information

Formula
Ag(NO)3
Alex-ID
agm005285927
Elements
3
Sites
28
Space group
Pnnm (#58)
Crystal system
orthorhombic
Volume
514.25
ų
Cell a
6.0202
Å
Cell b
7.8396
Å
Cell c
10.8961
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag(NO)3
Ag
4.00 · 14.3%
N
12.00 · 42.9%
O
12.00 · 42.9%

Energy & Stability

Energy above hull
1.4367
eV/atom
Formation energy
0.8855
eV/atom
Corrected total energy
-141.5397
eV
Raw total energy
-133.1122
eV

Electronic Structure

Indirect band gap
0.1149
eV
Direct band gap
0.1149
eV
DOS at Fermi level
7.8635
Total magnetisation
24.1371
μB

Additional Information

Prototype ID

AB3C3_2247_spg58

Decomposition

N2O AgNO3 Ag

Computed at

2023-05-11 21:22:45.603644

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005285927).

Reference

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

BibTeX 
@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…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm005285927
data_agm005285927
_cell_length_a     6.02021
_cell_length_b     7.83962
_cell_length_c     10.89612
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       514.25469
_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 0.50000 0.50000 0.50000 1.00000
  Ag2 Ag 0.00000 0.00000 0.00000 1.00000
  Ag3 Ag 0.00000 0.50000 0.50000 1.00000
  Ag4 Ag 0.50000 0.00000 0.00000 1.00000
  N1 N 0.00000 0.24848 0.06486 1.00000
  N2 N 0.00000 0.75152 0.93514 1.00000
  N3 N 0.50000 0.74848 0.43514 1.00000
  N4 N 0.50000 0.25152 0.56486 1.00000
  N5 N 0.50000 0.20082 0.86166 1.00000
  N6 N 0.50000 0.79918 0.13834 1.00000
  N7 N 0.00000 0.70082 0.63834 1.00000
  N8 N 0.00000 0.29918 0.36166 1.00000
  N9 N 0.00000 0.14474 0.65368 1.00000
  N10 N 0.00000 0.85526 0.34632 1.00000
  N11 N 0.50000 0.64474 0.84632 1.00000
  N12 N 0.50000 0.35526 0.15368 1.00000
  O1 O 0.00000 0.31075 0.65747 1.00000
  O2 O 0.00000 0.68925 0.34253 1.00000
  O3 O 0.50000 0.81075 0.84253 1.00000
  O4 O 0.50000 0.18925 0.15747 1.00000
  O5 O 0.18135 0.06663 0.65450 1.00000
  O6 O 0.18135 0.93337 0.34550 1.00000
  O7 O 0.31865 0.56663 0.84550 1.00000
  O8 O 0.31865 0.43337 0.15450 1.00000
  O9 O 0.81865 0.93337 0.34550 1.00000
  O10 O 0.81865 0.06663 0.65450 1.00000
  O11 O 0.68135 0.43337 0.15450 1.00000
  O12 O 0.68135 0.56663 0.84550 1.00000
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