AgN
传统材料 TRAMP-ID: mp-1009767 · Space group: P-6m2 (#187)
Basic Information
Formula
AgN
MP-ID
mp-1009767
Elements
2
Sites
2
Density
7.9926
g/cm³
Volume
25.32
ų
Cell a
3.1538
Å
Cell b
3.1538
Å
Cell c
2.9395
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.41 | 2.9395 | 35.3 | (0,0,0,1) |
| 32.79 | 2.7313 | 67.4 | (1,0,-1,0) |
| 32.79 | 2.7313 | 33.7 | (1,-1,0,0) |
| 45.32 | 2.0009 | 100.0 | (1,0,-1,1) |
| 58.53 | 1.5769 | 24.0 | (2,-1,-1,0) |
| 63.27 | 1.4698 | 6.2 | (0,0,0,2) |
| 67.39 | 1.3896 | 7.1 | (1,1,-2,1) |
| 67.39 | 1.3896 | 14.2 | (2,-1,-1,1) |
| 68.74 | 1.3656 | 7.4 | (2,0,-2,0) |
| 68.74 | 1.3656 | 3.7 | (2,-2,0,0) |
| 73.12 | 1.2943 | 18.5 | (1,0,-1,2) |
| 76.99 | 1.2385 | 12.7 | (2,0,-2,1) |
| 76.99 | 1.2385 | 6.4 | (2,-2,0,1) |
Energy Properties
Formation Energy/atom
1.54443
eV/atom
Energy/atom
-13.69789
eV/atom
Energy above Hull
1.5444
eV/atom
Uncorrected Energy
-3.8596
eV/atom
Volume/atom
12.66
ų
c/a Ratio
0.9321
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ag · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.589
Family
Binary Alloy
Matrix Element
Ag · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009767
Reference Citation
The crystal structure and related material properties of AgN were obtained from the Materials Project database (MP-ID: mp-1009767, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_AgN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15378978
_cell_length_b 3.15378978
_cell_length_c 2.93952600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999531
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgN
_chemical_formula_sum 'Ag1 N1'
_cell_volume 25.32056779
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 0.66666700 0.33333300 0.00000000 1.0
N N1 1 0.00000000 0.00000000 0.50000000 1.0
