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ScCd3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30494 · Space group: P6_3/mmc (#194)

Basic Information

Formula
ScCd3
MP-ID
mp-30494
Elements
2
Sites
8
Density
7.4885
g/cm³
Volume
169.50
ų
Cell a
6.3542
Å
Cell b
6.3542
Å
Cell c
4.8475
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
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
16.11 5.5029 4.6 (1,-1,0,0)
16.11 5.5029 2.3 (1,0,-1,0)
24.47 3.6375 14.1 (1,0,-1,1)
28.09 3.1771 2.3 (1,-2,1,0)
28.09 3.1771 4.6 (2,-1,-1,0)
32.54 2.7514 37.3 (2,0,-2,0)
37.09 2.4238 34.6 (0,0,0,2)
37.59 2.3929 100.0 (2,-2,0,1)
37.59 2.3929 50.0 (2,0,-2,1)
40.68 2.2181 1.5 (1,0,-1,2)
47.16 1.9270 1.1 (1,-2,1,2)
47.16 1.9270 2.3 (2,-1,-1,2)
47.57 1.9114 1.8 (2,-3,1,1)
47.57 1.9114 2.7 (3,-2,-1,1)
50.16 1.8187 21.1 (2,0,-2,2)
58.06 1.5885 8.8 (2,-4,2,0)
58.06 1.5885 8.8 (2,2,-4,0)
58.06 1.5885 8.8 (4,-2,-2,0)
67.19 1.3933 16.7 (2,-2,0,3)
67.19 1.3933 8.4 (2,0,-2,3)
68.16 1.3757 2.7 (4,-4,0,0)
68.16 1.3757 1.3 (4,0,-4,0)
70.94 1.3286 9.4 (2,-4,2,2)
70.94 1.3286 18.9 (4,-2,-2,2)
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Energy Properties

Formation Energy/atom
-0.23471
eV/atom
Energy/atom
-18.16307
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.1631
eV/atom
Volume/atom
21.19
ų
c/a Ratio
0.7629

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
61.151
GPa
GVRH
29.259
GPa
Young's Modulus E
75.703
GPa
Poisson Ratio ν
0.294
Pugh Ratio K/G
2.090
Vickers Hardness Est.
3.084
GPa
Ductility
Brittle
Anisotropy
0.202
Lame λ
41.645
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cd · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.721
Family
Binary Alloy
Matrix Element
Cd · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2020
Homogeneous Poisson ν
0.2940
Debye Temperature
237.3
K
Sound Velocity
2,206.1
m/s
Homogeneity
0.2940

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30494
Reference Citation

The crystal structure and related material properties of ScCd3 were obtained from the Materials Project database (MP-ID: mp-30494, 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_ScCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35416496
_cell_length_b   6.35416669
_cell_length_c   4.84749721
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000710
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCd3
_chemical_formula_sum   'Sc2 Cd6'
_cell_volume   169.49826510
_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
  Sc  Sc0  1  0.33333300  0.66666700  0.25000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.75000000  1.0
  Cd  Cd2  1  0.83410479  0.66820857  0.25000000  1.0
  Cd  Cd3  1  0.16589521  0.83410479  0.75000000  1.0
  Cd  Cd4  1  0.66820857  0.83410479  0.75000000  1.0
  Cd  Cd5  1  0.33179143  0.16589521  0.25000000  1.0
  Cd  Cd6  1  0.83410479  0.16589521  0.25000000  1.0
  Cd  Cd7  1  0.16589521  0.33179143  0.75000000  1.0
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