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CdCu2GeS4

Elasticity Data ELA

MP-ID: mp-13982 · Space group: Pmn2_1 (#31)

Basic Information

Formula
CdCu2GeS4
MP-ID
mp-13982
Elements
4
Sites
16
Density
4.6188
g/cm³
Volume
316.67
ų
Cell a
6.2930
Å
Cell b
6.5329
Å
Cell c
7.7027
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmn2_1
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
13.55 6.5329 1.6 (0,1,0)
18.20 4.8734 2.1 (1,0,1)
19.59 4.5322 3.6 (1,1,0)
22.76 3.9062 2.2 (1,1,1)
23.09 3.8513 2.9 (0,0,2)
26.87 3.3177 70.7 (0,1,2)
27.30 3.2664 37.4 (0,2,0)
28.36 3.1465 73.0 (2,0,0)
29.71 3.0072 4.8 (0,2,1)
30.46 2.9348 100.0 (1,1,2)
30.84 2.8992 44.8 (1,2,0)
31.56 2.8348 1.6 (2,1,0)
33.69 2.6604 3.8 (2,1,1)
36.89 2.4367 2.4 (2,0,2)
37.84 2.3773 1.7 (1,0,3)
38.88 2.3162 3.3 (1,2,2)
39.47 2.2830 28.5 (2,1,2)
39.78 2.2661 14.7 (2,2,0)
41.54 2.1740 3.2 (2,2,1)
43.17 2.0955 1.5 (0,3,1)
47.20 1.9257 28.6 (0,0,4)
47.80 1.9030 1.0 (2,1,3)
47.99 1.8956 52.2 (0,3,2)
51.55 1.7730 58.9 (3,1,2)
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Energy Properties

Formation Energy/atom
-0.65012
eV/atom
Energy/atom
-4.44151
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-11.4811
eV/atom
Volume/atom
19.79
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.389
eV
Direct Gap
Yes
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
68.712
GPa
GVRH
27.986
GPa
Young's Modulus E
73.922
GPa
Poisson Ratio ν
0.321
Pugh Ratio K/G
2.455
Vickers Hardness Est.
1.910
GPa
Ductility
Brittle
Anisotropy
0.249
Lame λ
50.055
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
S · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2490
Homogeneous Poisson ν
0.3210
Debye Temperature
303.4
K
Sound Velocity
2,756.8
m/s
Homogeneity
0.3210

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-13982
Reference Citation

The crystal structure and related material properties of CdCu2GeS4 were obtained from the Materials Project database (MP-ID: mp-13982, 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_CdCu2GeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29298567
_cell_length_b   6.53286496
_cell_length_c   7.70267704
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2GeS4
_chemical_formula_sum   'Cd2 Cu4 Ge2 S8'
_cell_volume   316.66649334
_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  0.50707624  0.84253619  0.50000000  1.0
  Cd  Cd1  1  0.00707624  0.15746381  0.00000000  1.0
  Cu  Cu2  1  0.00454314  0.67334232  0.74922084  1.0
  Cu  Cu3  1  0.50454314  0.32665768  0.24922084  1.0
  Cu  Cu4  1  0.50454314  0.32665768  0.75077916  1.0
  Cu  Cu5  1  0.00454314  0.67334232  0.25077916  1.0
  Ge  Ge6  1  0.00941966  0.17785795  0.50000000  1.0
  Ge  Ge7  1  0.50941966  0.82214205  0.00000000  1.0
  S  S8  1  0.10202800  0.84521327  0.50000000  1.0
  S  S9  1  0.60202800  0.15478673  0.00000000  1.0
  S  S10  1  0.65297920  0.20563399  0.50000000  1.0
  S  S11  1  0.15297920  0.79436601  0.00000000  1.0
  S  S12  1  0.64220582  0.65473087  0.76985453  1.0
  S  S13  1  0.64220582  0.65473087  0.23014547  1.0
  S  S14  1  0.14220582  0.34526913  0.26985453  1.0
  S  S15  1  0.14220582  0.34526913  0.73014547  1.0
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