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Dy2CdS4

Elasticity Data ELA

MP-ID: mp-16267 · Space group: Fd-3m (#227)

Basic Information

Formula
Dy2CdS4
MP-ID
mp-16267
Elements
3
Sites
14
Density
5.2934
g/cm³
Volume
354.90
ų
Cell a
7.9471
Å
Cell b
7.9471
Å
Cell c
7.9471
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
13.65 6.4888 23.4 (0,1,0)
13.65 6.4888 7.8 (1,0,0)
22.37 3.9736 26.8 (1,0,-1)
26.30 3.3887 100.0 (2,0,1)
26.30 3.3887 50.0 (2,1,0)
27.49 3.2444 26.4 (2,0,0)
31.85 2.8097 30.5 (2,0,2)
31.85 2.8097 15.2 (2,2,0)
34.79 2.5784 3.5 (2,-1,0)
34.79 2.5784 1.8 (2,0,-1)
39.27 2.2941 2.0 (0,3,1)
39.27 2.2941 9.8 (3,3,2)
41.76 2.1629 59.8 (3,0,2)
41.76 2.1629 4.4 (3,2,0)
45.66 1.9868 30.7 (2,-2,0)
45.66 1.9868 61.3 (4,2,2)
47.88 1.8997 4.7 (3,-1,1)
47.88 1.8997 3.4 (2,1,-2)
51.42 1.7770 1.7 (3,-1,2)
51.42 1.7770 2.5 (4,1,3)
53.46 1.7139 15.9 (4,0,1)
53.46 1.7139 5.3 (1,1,-3)
54.13 1.6943 2.5 (0,4,2)
54.13 1.6943 8.8 (4,2,4)
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Energy Properties

Formation Energy/atom
-1.94131
eV/atom
Energy/atom
-5.76221
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.5330
eV/atom
Volume/atom
25.35
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.089
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
62.141
GPa
GVRH
22.866
GPa
Young's Modulus E
61.103
GPa
Poisson Ratio ν
0.336
Pugh Ratio K/G
2.718
Vickers Hardness Est.
0.874
GPa
Ductility
Brittle
Anisotropy
0.385
Lame λ
46.897
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
0.3850
Homogeneous Poisson ν
0.3360
Debye Temperature
314.2
K
Sound Velocity
2,332.4
m/s
Homogeneity
0.3360

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-16267
Reference Citation

The crystal structure and related material properties of Dy2CdS4 were obtained from the Materials Project database (MP-ID: mp-16267, 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_Dy2CdS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94710030
_cell_length_b   7.94710106
_cell_length_c   7.94710112
_cell_angle_alpha   59.99999975
_cell_angle_beta   59.99999659
_cell_angle_gamma   60.00000830
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2CdS4
_chemical_formula_sum   'Dy4 Cd2 S8'
_cell_volume   354.90423889
_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
  Dy  Dy0  1  0.50000000  0.50000000  0.00000000  1.0
  Dy  Dy1  1  0.50000000  0.50000000  0.50000000  1.0
  Dy  Dy2  1  -0.00000000  0.50000000  0.50000000  1.0
  Dy  Dy3  1  0.50000000  0.00000000  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  0.74293811  0.74293811  0.74293811  1.0
  S  S7  1  0.25706189  0.25706189  0.72881334  1.0
  S  S8  1  0.25706189  0.72881334  0.25706189  1.0
  S  S9  1  0.72881334  0.25706189  0.25706189  1.0
  S  S10  1  0.74293811  0.27118666  0.74293811  1.0
  S  S11  1  0.27118666  0.74293811  0.74293811  1.0
  S  S12  1  0.25706189  0.25706189  0.25706189  1.0
  S  S13  1  0.74293811  0.74293811  0.27118666  1.0
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