Au
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1008634 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Au
MP-ID
mp-1008634
Elements
1
Sites
2
Density
18.5302
g/cm³
Volume
35.30
ų
Cell a
2.8226
Å
Cell b
2.9197
Å
Cell c
4.8932
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
118.91
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 35.11 | 2.5559 | 21.6 | (0,1,0) |
| 36.36 | 2.4710 | 43.0 | (1,0,0) |
| 36.73 | 2.4466 | 81.3 | (0,0,2) |
| 39.79 | 2.2655 | 100.0 | (0,1,1) |
| 40.92 | 2.2057 | 90.0 | (1,0,1) |
| 40.92 | 2.2057 | 89.9 | (1,-1,1) |
| 51.72 | 1.7674 | 14.6 | (0,1,2) |
| 52.65 | 1.7386 | 15.1 | (1,0,2) |
| 52.65 | 1.7386 | 15.1 | (1,-1,2) |
| 63.81 | 1.4588 | 16.6 | (1,1,0) |
| 63.81 | 1.4588 | 16.6 | (1,-2,0) |
| 66.22 | 1.4113 | 14.9 | (2,-1,0) |
| 68.21 | 1.3750 | 20.9 | (0,1,3) |
| 68.99 | 1.3612 | 19.7 | (1,0,3) |
| 68.99 | 1.3612 | 19.7 | (1,-1,3) |
| 74.20 | 1.2780 | 3.0 | (0,2,0) |
| 75.95 | 1.2530 | 20.4 | (1,1,2) |
| 75.95 | 1.2530 | 20.4 | (1,-2,2) |
| 77.14 | 1.2365 | 14.1 | (0,2,1) |
| 77.22 | 1.2355 | 2.3 | (2,0,0) |
| 77.22 | 1.2355 | 2.3 | (2,-2,0) |
| 78.13 | 1.2233 | 9.5 | (0,0,4) |
| 78.19 | 1.2225 | 19.0 | (2,-1,2) |
| 80.12 | 1.1979 | 13.7 | (2,0,1) |
Energy Properties
Formation Energy/atom
0.00211
eV/atom
Energy/atom
-50.58285
eV/atom
Energy above Hull
0.0021
eV/atom
Uncorrected Energy
-50.5829
eV/atom
Volume/atom
17.65
ų
c/a Ratio
1.7336
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
120.075
GPa
GVRH
12.694
GPa
Young's Modulus E
36.786
GPa
Poisson Ratio ν
0.449
Pugh Ratio K/G
9.459
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
176.986
Lame λ
111.612
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Au · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.781
Family
Pure Metal
Matrix Element
Au · 1.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
176.9860
Homogeneous Poisson ν
0.4490
Debye Temperature
107.8
K
Sound Velocity
943.0
m/s
Homogeneity
0.4490
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008634
Reference Citation
The crystal structure and related material properties of Au were obtained from the Materials Project database (MP-ID: mp-1008634, 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_Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82261993
_cell_length_b 2.91968970
_cell_length_c 4.89316961
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.90616090
_symmetry_Int_Tables_number 1
_chemical_formula_structural Au
_chemical_formula_sum Au2
_cell_volume 35.30141738
_cell_formula_units_Z 2
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 0.33467103 0.66934306 0.25000000 1.0
Au Au1 1 0.66532897 0.33065694 0.75000000 1.0
