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Cd5Au3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30371 · Space group: I4/mcm (#140)

Basic Information

Formula
Cd5Au3
MP-ID
mp-30371
Elements
2
Sites
16
Density
12.0152
g/cm³
Volume
318.68
ų
Cell a
5.4623
Å
Cell b
8.1118
Å
Cell c
8.1118
Å
α Angle
83.49
°
β Angle
70.32
°
γ Angle
70.32
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.59 7.6382 2.3 (0,1,0)
23.29 3.8191 7.7 (0,2,0)
24.60 3.6187 9.5 (1,0,-1)
24.60 3.6187 9.5 (1,2,1)
26.09 3.4159 15.9 (0,2,1)
32.79 2.7311 17.7 (2,1,1)
33.17 2.7005 4.3 (0,2,2)
34.13 2.6268 10.5 (1,0,-2)
34.13 2.6268 17.5 (1,3,0)
34.89 2.5717 3.1 (2,1,0)
35.25 2.5461 10.6 (0,3,0)
36.88 2.4373 62.7 (2,0,0)
37.22 2.4154 62.8 (0,3,1)
38.10 2.3622 100.0 (1,-1,-2)
40.61 2.2215 13.9 (2,1,-1)
40.61 2.2215 13.9 (2,-1,1)
42.68 2.1185 1.3 (0,3,2)
47.34 1.9203 8.3 (2,-1,-1)
47.34 1.9203 8.3 (2,3,3)
47.62 1.9096 3.2 (0,4,0)
48.34 1.8830 6.7 (1,-1,-3)
48.34 1.8830 20.0 (1,-3,-1)
48.91 1.8623 4.9 (2,1,-2)
48.91 1.8623 14.7 (2,4,1)
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Energy Properties

Formation Energy/atom
-0.20019
eV/atom
Energy/atom
-31.73516
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.7352
eV/atom
Volume/atom
19.92
ų
c/a Ratio
1.4851

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
73.514
GPa
GVRH
11.916
GPa
Young's Modulus E
33.916
GPa
Poisson Ratio ν
0.423
Pugh Ratio K/G
6.169
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
12.377
Lame λ
65.570
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cd · 0.625
Element Family
N/A
Solute Fraction
0.375
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.679
Family
Binary Alloy
Matrix Element
Cd · 0.625

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
12.3770
Homogeneous Poisson ν
0.4230
Debye Temperature
124.2
K
Sound Velocity
1,130.9
m/s
Homogeneity
0.4230

Related Tasks

Related computation task IDs (4)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30371
Reference Citation

The crystal structure and related material properties of Cd5Au3 were obtained from the Materials Project database (MP-ID: mp-30371, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Cd5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46226940
_cell_length_b   8.11183076
_cell_length_c   8.11183025
_cell_angle_alpha   83.49112955
_cell_angle_beta   70.32495468
_cell_angle_gamma   70.32494200
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Au3
_chemical_formula_sum   'Cd10 Au6'
_cell_volume   318.68355343
_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
  Cd  Cd0  1  0.57951018  0.69544983  0.14553082  1.0
  Cd  Cd1  1  0.42048982  0.30455017  0.85446918  1.0
  Cd  Cd2  1  0.72504099  0.85446918  0.69544983  1.0
  Cd  Cd3  1  0.27495901  0.14553082  0.30455017  1.0
  Cd  Cd4  1  0.92048982  0.85446918  0.30455017  1.0
  Cd  Cd5  1  0.22504099  0.69544983  0.85446918  1.0
  Cd  Cd6  1  0.25000000  0.50000000  0.50000000  1.0
  Cd  Cd7  1  0.75000000  0.50000000  0.50000000  1.0
  Cd  Cd8  1  0.07951018  0.14553082  0.69544983  1.0
  Cd  Cd9  1  0.77495901  0.30455017  0.14553082  1.0
  Au  Au10  1  0.83504646  0.50000000  0.82990609  1.0
  Au  Au11  1  0.66495354  0.17009391  0.50000000  1.0
  Au  Au12  1  0.33504646  0.82990609  0.50000000  1.0
  Au  Au13  1  0.16495354  0.50000000  0.17009391  1.0
  Au  Au14  1  0.75000000  -0.00000000  -0.00000000  1.0
  Au  Au15  1  0.25000000  -0.00000000  -0.00000000  1.0
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