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Sc2CdS4

Elasticity Data ELA

MP-ID: mp-10953 · Space group: Fd-3m (#227)

Basic Information

Formula
Sc2CdS4
MP-ID
mp-10953
Elements
3
Sites
14
Density
3.4958
g/cm³
Volume
314.06
ų
Cell a
7.6297
Å
Cell b
7.6297
Å
Cell c
7.6297
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fd-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
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
14.22 6.2297 5.7 (1,0,0)
23.32 3.8149 17.2 (1,2,1)
23.32 3.8149 86.0 (1,0,-1)
27.41 3.2533 100.0 (1,2,0)
27.41 3.2533 50.0 (2,1,0)
28.66 3.1148 4.0 (0,2,0)
28.66 3.1148 1.3 (2,0,0)
33.21 2.6975 5.4 (2,2,0)
33.21 2.6975 10.8 (2,0,2)
36.29 2.4754 2.6 (1,3,1)
36.29 2.4754 12.9 (2,0,-1)
40.98 2.2025 21.4 (1,3,0)
40.98 2.2025 21.4 (3,1,0)
43.59 2.0766 5.5 (2,3,0)
43.59 2.0766 65.6 (0,3,0)
43.59 2.0766 1.9 (3,0,0)
47.68 1.9074 18.2 (2,4,2)
47.68 1.9074 72.7 (2,-2,0)
47.68 1.9074 18.2 (2,0,-2)
50.01 1.8239 1.8 (4,3,2)
53.73 1.7061 1.4 (3,4,1)
53.73 1.7061 15.9 (3,2,-1)
55.88 1.6455 12.8 (1,4,0)
55.88 1.6455 6.4 (4,1,0)
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Energy Properties

Formation Energy/atom
-1.79412
eV/atom
Energy/atom
-12.51385
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-12.5139
eV/atom
Volume/atom
22.43
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.959
eV
Direct Gap
Yes
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
69.767
GPa
GVRH
24.821
GPa
Young's Modulus E
66.569
GPa
Poisson Ratio ν
0.341
Pugh Ratio K/G
2.811
Vickers Hardness Est.
0.907
GPa
Ductility
Brittle
Anisotropy
0.725
Lame λ
53.220
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
S · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7250
Homogeneous Poisson ν
0.3410
Debye Temperature
315.8
K
Sound Velocity
2,992.3
m/s
Homogeneity
0.3410

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-10953
Reference Citation

The crystal structure and related material properties of Sc2CdS4 were obtained from the Materials Project database (MP-ID: mp-10953, 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_Sc2CdS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62973602
_cell_length_b   7.62973721
_cell_length_c   7.62973632
_cell_angle_alpha   59.99999941
_cell_angle_beta   59.99999422
_cell_angle_gamma   59.99999359
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CdS4
_chemical_formula_sum   'Sc4 Cd2 S8'
_cell_volume   314.06069078
_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  0.50000000  0.00000000  0.50000000  1.0
  Sc  Sc1  1  -0.00000000  0.50000000  0.50000000  1.0
  Sc  Sc2  1  0.50000000  0.50000000  0.00000000  1.0
  Sc  Sc3  1  0.50000000  0.50000000  0.50000000  1.0
  Cd  Cd4  1  0.87500000  0.87500000  0.87500000  1.0
  Cd  Cd5  1  0.12500000  0.12500000  0.12500000  1.0
  S  S6  1  0.73972485  0.73972485  0.73972485  1.0
  S  S7  1  0.26027515  0.26027515  0.71917354  1.0
  S  S8  1  0.26027515  0.71917354  0.26027515  1.0
  S  S9  1  0.71917354  0.26027515  0.26027515  1.0
  S  S10  1  0.73972485  0.28082646  0.73972485  1.0
  S  S11  1  0.28082646  0.73972485  0.73972485  1.0
  S  S12  1  0.26027515  0.26027515  0.26027515  1.0
  S  S13  1  0.73972485  0.73972485  0.28082646  1.0
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