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ScGe

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9970 · Space group: Cmcm (#63)

Basic Information

Formula
ScGe
MP-ID
mp-9970
Elements
2
Sites
4
Density
5.1084
g/cm³
Volume
76.45
ų
Cell a
3.7750
Å
Cell b
4.0097
Å
Cell c
5.4343
Å
α Angle
111.65
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
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
17.56 5.0508 30.2 (0,0,1)
23.88 3.7269 25.5 (0,1,-1)
23.88 3.7268 25.4 (0,1,0)
29.54 3.0237 14.0 (1,0,1)
33.80 2.6522 99.9 (1,1,-1)
33.80 2.6521 100.0 (1,1,0)
34.79 2.5787 7.1 (0,1,-2)
34.79 2.5785 7.1 (0,1,1)
35.55 2.5254 64.0 (0,0,2)
42.45 2.1293 92.2 (1,1,-2)
42.45 2.1292 92.2 (1,1,1)
43.10 2.0990 47.0 (1,0,2)
45.23 2.0049 56.2 (0,2,-1)
48.21 1.8875 46.2 (2,0,0)
48.88 1.8635 2.2 (0,2,-2)
48.88 1.8634 2.1 (0,2,0)
50.59 1.8043 8.4 (0,1,-3)
50.59 1.8042 8.4 (0,1,2)
51.70 1.7681 3.6 (2,0,1)
54.49 1.6839 5.9 (2,1,-1)
54.50 1.6838 5.9 (2,1,0)
54.50 1.6836 6.8 (0,0,3)
54.95 1.6710 3.0 (1,2,-2)
54.95 1.6709 3.0 (1,2,0)
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Energy Properties

Formation Energy/atom
-0.88560
eV/atom
Energy/atom
-13.52084
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.5208
eV/atom
Volume/atom
19.11
ų
c/a Ratio
-

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
89.435
GPa
GVRH
57.039
GPa
Young's Modulus E
141.117
GPa
Poisson Ratio ν
0.237
Pugh Ratio K/G
1.568
Vickers Hardness Est.
9.585
GPa
Ductility
Ductile
Anisotropy
1.017
Lame λ
51.409
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sc · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Sc · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.0170
Homogeneous Poisson ν
0.2370
Debye Temperature
412.4
K
Sound Velocity
3,704.1
m/s
Homogeneity
0.2370

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-9970
Reference Citation

The crystal structure and related material properties of ScGe were obtained from the Materials Project database (MP-ID: mp-9970, 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_ScGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77495441
_cell_length_b   4.00969084
_cell_length_c   5.43429288
_cell_angle_alpha   111.65267347
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGe
_chemical_formula_sum   'Sc2 Ge2'
_cell_volume   76.45148221
_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  0.75000000  0.13694733  0.27393806  1.0
  Sc  Sc1  1  0.25000000  0.86305267  0.72606194  1.0
  Ge  Ge2  1  0.75000000  0.41040294  0.82094226  1.0
  Ge  Ge3  1  0.25000000  0.58959706  0.17905774  1.0
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