AuN

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1008610 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

AuN

MP-ID

mp-1008610

Elements

Sites

Density

13.7607

g/cm³

Volume

25.46

Å³

Cell a

3.3021

Cell b

3.3021

Cell c

3.3021

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 6)

2θ	d (Å)	I	hkl
33.23	2.6961	100.0	(1,1,1)
38.56	2.3349	66.3	(1,1,0)
55.67	1.6510	45.2	(2,1,1)
66.40	1.4080	43.8	(2,2,1)
69.76	1.3481	15.4	(2,2,2)
82.65	1.1675	7.5	(2,2,0)

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Energy Properties

Formation Energy/atom

1.51026

eV/atom

Energy/atom

-28.34660

eV/atom

Energy above Hull

1.5103

eV/atom

Uncorrected Energy

-4.1144

eV/atom

Volume/atom

12.73

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

K_VRH

172.053

GPa

G_VRH

29.649

GPa

Young's Modulus E

84.115

GPa

Poisson Ratio ν

0.419

Pugh Ratio K/G

5.803

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.221

Lame λ

152.287

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

Score

0.589

Family

Binary Alloy

Matrix Element

Au · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2210

Homogeneous Poisson ν

0.4190

Debye Temperature

212.4

Sound Velocity

1,665.8

m/s

Homogeneity

0.4190

Related Tasks

Related computation task IDs (5)

aaacidxi aaadrfar aaadxyzn aaaettwq aaafyhyj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1008610

Reference Citation

The crystal structure and related material properties of AuN were obtained from the Materials Project database (MP-ID: mp-1008610, 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   3.30205290
_cell_length_b   3.30205290
_cell_length_c   3.30205290
_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   25.45875040
_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  0.50000000  0.50000000  0.50000000  1.0

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