AuN
Traditional Materials TRAMP-ID: mp-1008558 · Space group: F-43m (#216)
Basic Information
Formula
AuN
MP-ID
mp-1008558
Elements
2
Sites
2
Density
11.3292
g/cm³
Volume
30.92
ų
Cell a
3.5231
Å
Cell b
3.5231
Å
Cell c
3.5231
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
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 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 31.09 | 2.8766 | 100.0 | (1,1,1) |
| 36.05 | 2.4912 | 44.1 | (1,1,0) |
| 51.91 | 1.7616 | 40.5 | (2,1,1) |
| 61.75 | 1.5023 | 43.5 | (2,2,1) |
| 64.82 | 1.4383 | 11.3 | (2,2,2) |
| 76.47 | 1.2456 | 6.5 | (2,2,0) |
| 84.82 | 1.1431 | 18.8 | (3,1,1) |
| 87.57 | 1.1141 | 16.2 | (3,2,1) |
Energy Properties
Formation Energy/atom
1.54030
eV/atom
Energy/atom
-28.31656
eV/atom
Energy above Hull
1.5403
eV/atom
Uncorrected Energy
-4.0844
eV/atom
Volume/atom
15.46
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0033
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000110
μB/ų
Elastic Properties
KVRH
127.626
GPa
GVRH
27.863
GPa
Young's Modulus E
77.919
GPa
Poisson Ratio ν
0.398
Pugh Ratio K/G
4.580
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
-4.802
Lame λ
109.051
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Au · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.589
Family
Binary Alloy
Matrix Element
Au · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008558
Reference Citation
The crystal structure and related material properties of AuN were obtained from the Materials Project database (MP-ID: mp-1008558, 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_AuN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52314257
_cell_length_b 3.52314257
_cell_length_c 3.52314257
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AuN
_chemical_formula_sum 'Au1 N1'
_cell_volume 30.92257524
_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
Au Au0 1 0.00000000 0.00000000 0.00000000 1.0
N N1 1 0.25000000 0.25000000 0.25000000 1.0
