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AgH7N2

Alexandria ALEX

Alex-ID: agm006200431 · Space group: P1 (#1)

Basic Information

Formula
AgH7N2
Alex-ID
agm006200431
Elements
3
Sites
10
Space group
P1 (#1)
Crystal system
triclinic
Volume
133.93
ų
Cell a
4.6431
Å
Cell b
10.4956
Å
Cell c
14.7587
Å
α angle
31.00
°
β angle
130.85
°
γ angle
154.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AgH7N2
H
7.00 · 70.0%
Ag
1.00 · 10.0%
N
2.00 · 20.0%

Energy & Stability

Energy above hull
0.1611
eV/atom
Formation energy
-0.2854
eV/atom
Corrected total energy
-44.2881
eV
Raw total energy
-44.2881
eV

Electronic Structure

Indirect band gap
0.9547
eV
Direct band gap
1.4337
eV
DOS at Fermi level
-0.0180
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C7_621_spg10

Decomposition

H9N Ag H3N

Computed at

2023-11-23 04:54:33

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: agm006200431).

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 agm006200431
data_agm006200431
_cell_length_a     4.64308
_cell_length_b     10.49563
_cell_length_c     14.75867
_cell_angle_alpha  30.99752
_cell_angle_beta   130.85485
_cell_angle_gamma  154.53713
_cell_volume       133.92956
_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
  H1 H 0.81144 0.18633 0.24295 1.00000
  H2 H 0.22668 0.54531 0.75555 1.00000
  H3 H 0.16762 0.33397 0.78243 1.00000
  H4 H 0.48157 0.59989 0.21152 1.00000
  H5 H 0.55550 0.93943 0.45208 1.00000
  H6 H 0.65601 0.31104 0.21528 1.00000
  H7 H 0.46433 0.13604 0.78005 1.00000
  Ag1 Ag 0.92203 0.29026 0.03655 1.00000
  N1 N 0.07353 0.45820 0.70956 1.00000
  N2 N 0.87369 0.25693 0.28219 1.00000
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