SnAu5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30418 · Space group: R32 (#155)

Materials Project API

Basic Information

Formula

SnAu5

MP-ID

mp-30418

Elements

Sites

Density

16.5469

g/cm³

Volume

110.74

Å³

Cell a

5.7288

Cell b

5.7288

Cell c

5.7288

α Angle

52.88

β Angle

52.88

γ Angle

52.88

Space Group

R32

Point Group

Crystal System

Trigonal

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
20.99	4.2320	1.9	(1,0,0)
23.48	3.7894	1.1	(1,0,1)
35.18	2.5507	28.3	(1,0,-1)
36.58	2.4568	33.4	(2,2,2)
36.65	2.4523	1.2	(2,2,1)
39.82	2.2639	100.0	(2,1,0)
39.82	2.2639	20.0	(0,2,1)
51.66	1.7695	3.2	(3,2,1)
51.66	1.7695	12.8	(3,1,2)
51.66	1.7695	3.2	(1,3,2)
63.13	1.4727	14.0	(2,-1,-1)
63.13	1.4727	7.0	(1,-2,1)
68.02	1.3782	8.4	(4,3,2)
68.02	1.3782	8.4	(3,4,2)
68.02	1.3782	8.4	(2,4,3)
74.38	1.2754	1.1	(2,0,-2)
74.38	1.2754	2.2	(2,-2,0)
75.23	1.2631	4.3	(4,1,1)
75.23	1.2631	12.8	(3,3,0)
75.23	1.2631	8.5	(0,3,3)
77.29	1.2345	6.0	(3,1,-1)
77.29	1.2345	9.0	(3,-1,1)
77.29	1.2345	3.0	(1,-3,-1)
77.74	1.2284	3.9	(4,4,4)

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Energy Properties

Formation Energy/atom

-0.01651

eV/atom

Energy/atom

-46.29501

eV/atom

Energy above Hull

0.0313

eV/atom

Uncorrected Energy

-46.2950

eV/atom

Volume/atom

18.46

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

114.725

GPa

G_VRH

21.951

GPa

Young's Modulus E

61.905

GPa

Poisson Ratio ν

0.410

Pugh Ratio K/G

5.226

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

1.060

Lame λ

100.091

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Au · 0.833

Element Family

N/A

Solute Fraction

0.167

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.901

Family

Binary Alloy

Matrix Element

Au · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.0600

Homogeneous Poisson ν

0.4100

Debye Temperature

147.0

Sound Velocity

1,305.6

m/s

Homogeneity

0.4100

Related Tasks

Related computation task IDs (5)

aaadmljq aaaelfwz aaaeuqfp aaaezxad aaafijoh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30418

Reference Citation

The crystal structure and related material properties of SnAu5 were obtained from the Materials Project database (MP-ID: mp-30418, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_SnAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72875091
_cell_length_b   5.72874969
_cell_length_c   5.72874999
_cell_angle_alpha   52.87891717
_cell_angle_beta   52.87891947
_cell_angle_gamma   52.87891284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAu5
_chemical_formula_sum   'Sn1 Au5'
_cell_volume   110.74464139
_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
  Sn  Sn0  1  0.00010675  0.00010675  0.00010675  1.0
  Au  Au1  1  0.67014715  0.67014715  0.67014715  1.0
  Au  Au2  1  0.50013051  0.17070813  0.82918679  1.0
  Au  Au3  1  0.82918679  0.50013051  0.17070813  1.0
  Au  Au4  1  0.17070813  0.82918679  0.50013051  1.0
  Au  Au5  1  0.32982168  0.32982168  0.32982168  1.0

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