Navigation

HEAS Data Platform · Materials Science Database

Sc2Cu2Ge4O13

Elasticity Data ELA

MP-ID: mp-19949 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula
Sc2Cu2Ge4O13
MP-ID
mp-19949
Elements
4
Sites
42
Density
4.3468
g/cm³
Volume
546.71
ų
Cell a
8.8722
Å
Cell b
4.9814
Å
Cell c
12.4396
Å
α Angle
83.94
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic P
Stability
No
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
7.15 12.3700 4.2 (0,0,1)
12.28 7.2095 1.1 (1,0,1)
20.02 4.4361 6.0 (2,0,0)
20.53 4.3251 6.7 (1,1,0)
21.13 4.2054 9.0 (1,1,1)
21.28 4.1757 2.1 (2,0,1)
22.39 3.9702 6.1 (1,1,-1)
26.21 3.4002 9.6 (1,1,-2)
26.63 3.3477 3.7 (0,1,3)
26.98 3.3047 100.0 (2,1,0)
27.44 3.2503 13.3 (2,1,1)
28.87 3.0925 3.7 (0,0,4)
29.62 3.0163 2.0 (0,1,-3)
29.74 3.0040 1.2 (2,1,2)
31.32 2.8558 12.3 (1,1,-3)
32.47 2.7574 24.3 (0,1,4)
33.54 2.6722 3.2 (2,1,3)
33.59 2.6681 2.1 (3,0,2)
34.05 2.6331 1.7 (1,1,4)
35.38 2.5369 28.9 (2,0,4)
35.82 2.5070 8.3 (0,1,-4)
36.23 2.4795 1.5 (0,2,1)
36.27 2.4768 2.7 (0,2,0)
37.27 2.4125 4.0 (1,1,-4)
Get direct link

Energy Properties

Formation Energy/atom
-2.32604
eV/atom
Energy/atom
-7.26314
eV/atom
Energy above Hull
0.0368
eV/atom
Uncorrected Energy
-6.8379
eV/atom
Volume/atom
13.02
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.191
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
3.7385
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.006840
μB/ų

Elastic Properties

KVRH
70.626
GPa
GVRH
35.690
GPa
Young's Modulus E
91.635
GPa
Poisson Ratio ν
0.284
Pugh Ratio K/G
1.979
Vickers Hardness Est.
4.286
GPa
Ductility
Brittle
Anisotropy
2.968
Lame λ
46.833
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.619
Element Family
Metalloid-Nonmetal
Solute Fraction
0.381
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.9680
Homogeneous Poisson ν
0.2840
Debye Temperature
453.2
K
Sound Velocity
3,194.1
m/s
Homogeneity
0.2840

Related Tasks

Related computation task IDs (3)
aaacbrlq aaadedsm aaadvjuh

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-19949
Reference Citation

The crystal structure and related material properties of Sc2Cu2Ge4O13 were obtained from the Materials Project database (MP-ID: mp-19949, 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_Sc2Cu2Ge4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87220500
_cell_length_b   4.98141900
_cell_length_c   12.43956707
_cell_angle_alpha   83.93631972
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Cu2Ge4O13
_chemical_formula_sum   'Sc4 Cu4 Ge8 O26'
_cell_volume   546.70525973
_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  0.06178200  0.04612900  0.62719100  1.0
  Sc  Sc1  1  0.56178200  0.95387100  0.37280900  1.0
  Sc  Sc2  1  0.93821800  0.95387100  0.37280900  1.0
  Sc  Sc3  1  0.43821800  0.04612900  0.62719100  1.0
  Cu  Cu4  1  0.99770900  0.04720000  0.87711600  1.0
  Cu  Cu5  1  0.49770900  0.95280000  0.12288400  1.0
  Cu  Cu6  1  0.00229100  0.95280000  0.12288400  1.0
  Cu  Cu7  1  0.50229100  0.04720000  0.87711600  1.0
  Ge  Ge8  1  0.75000000  0.39799800  0.51483800  1.0
  Ge  Ge9  1  0.25000000  0.60200200  0.48516200  1.0
  Ge  Ge10  1  0.75000000  0.60974300  0.99273500  1.0
  Ge  Ge11  1  0.25000000  0.39025700  0.00726500  1.0
  Ge  Ge12  1  0.75000000  0.67519400  0.75112300  1.0
  Ge  Ge13  1  0.25000000  0.32480600  0.24887700  1.0
  Ge  Ge14  1  0.75000000  0.50915900  0.23298100  1.0
  Ge  Ge15  1  0.25000000  0.49084100  0.76701900  1.0
  O  O16  1  0.41699700  0.19739700  0.00439900  1.0
  O  O17  1  0.91699700  0.80260300  0.99560100  1.0
  O  O18  1  0.58300300  0.80260300  0.99560100  1.0
  O  O19  1  0.08300300  0.19739700  0.00439900  1.0
  O  O20  1  0.75000000  0.70988900  0.43280600  1.0
  O  O21  1  0.25000000  0.29011100  0.56719400  1.0
  O  O22  1  0.41535300  0.12437700  0.25243300  1.0
  O  O23  1  0.91535300  0.87562300  0.74756700  1.0
  O  O24  1  0.58464700  0.87562300  0.74756700  1.0
  O  O25  1  0.08464700  0.12437700  0.25243300  1.0
  O  O26  1  0.41704800  0.79276800  0.49480200  1.0
  O  O27  1  0.91704800  0.20723200  0.50519800  1.0
  O  O28  1  0.58295200  0.20723200  0.50519800  1.0
  O  O29  1  0.08295200  0.79276800  0.49480200  1.0
  O  O30  1  0.75000000  0.44661200  0.87273000  1.0
  O  O31  1  0.25000000  0.55338800  0.12727000  1.0
  O  O32  1  0.25000000  0.78875700  0.67646500  1.0
  O  O33  1  0.75000000  0.21124300  0.32353500  1.0
  O  O34  1  0.25000000  0.54766200  0.34699900  1.0
  O  O35  1  0.75000000  0.45233800  0.65300100  1.0
  O  O36  1  0.25000000  0.63472300  0.89344100  1.0
  O  O37  1  0.75000000  0.36527700  0.10655900  1.0
  O  O38  1  0.08734400  0.28618500  0.75840600  1.0
  O  O39  1  0.58734400  0.71381500  0.24159400  1.0
  O  O40  1  0.91265600  0.71381500  0.24159400  1.0
  O  O41  1  0.41265600  0.28618500  0.75840600  1.0
Get direct link