ScGe2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10212 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

ScGe2

MP-ID

mp-10212

Elements

Sites

Density

5.7234

g/cm³

Volume

110.39

Å³

Cell a

3.7918

Cell b

3.8579

Cell c

7.7888

α Angle

104.34

β Angle

90.00

γ Angle

90.00

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
23.58	3.7731	12.7	(0,0,2)
23.81	3.7377	12.6	(0,1,0)
29.17	3.0614	16.0	(0,1,1)
33.51	2.6746	12.6	(1,0,2)
33.67	2.6619	4.2	(1,1,0)
35.69	2.5154	37.3	(0,0,3)
37.77	2.3819	100.0	(1,1,1)
37.77	2.3819	100.0	(1,1,-2)
37.84	2.3773	4.0	(0,1,2)
43.16	2.0961	16.4	(1,0,3)
47.11	1.9289	30.0	(0,2,-1)
47.99	1.8959	28.4	(2,0,0)
48.36	1.8821	2.4	(0,1,3)
48.36	1.8821	2.4	(0,1,-4)
53.34	1.7175	3.0	(0,2,1)
54.14	1.6941	2.9	(2,0,2)
54.25	1.6908	3.0	(2,1,0)
54.31	1.6890	5.4	(1,0,4)
54.43	1.6858	13.9	(1,1,3)
57.15	1.6118	2.2	(2,1,1)
57.15	1.6118	2.2	(2,1,-2)
59.04	1.5645	5.1	(1,2,1)
60.17	1.5379	4.1	(0,1,4)
60.17	1.5379	4.1	(0,1,-5)

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Energy Properties

Formation Energy/atom

-0.57116

eV/atom

Energy/atom

-13.61864

eV/atom

Energy above Hull

0.0192

eV/atom

Uncorrected Energy

-13.6186

eV/atom

Volume/atom

18.40

Å³

c/a Ratio

2.0541

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

80.354

GPa

G_VRH

56.949

GPa

Young's Modulus E

138.199

GPa

Poisson Ratio ν

0.213

Pugh Ratio K/G

1.411

Vickers Hardness Est.

11.225

GPa

Ductility

Ductile

Anisotropy

0.330

Lame λ

42.388

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.690

Family

Binary Alloy

Matrix Element

Ge · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3300

Homogeneous Poisson ν

0.2130

Debye Temperature

393.2

Sound Velocity

3,487.5

m/s

Homogeneity

0.2130

Related Tasks

Related computation task IDs (5)

aaadmjle aaaelfji aaaeujug aaafawpk aaafxhbw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10212

Reference Citation

The crystal structure and related material properties of ScGe2 were obtained from the Materials Project database (MP-ID: mp-10212, 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

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_ScGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79181724
_cell_length_b   3.85786578
_cell_length_c   7.78877686
_cell_angle_alpha   104.33880936
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGe2
_chemical_formula_sum   'Sc2 Ge4'
_cell_volume   110.38740173
_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  0.10314831  0.20629461  1.0
  Sc  Sc1  1  0.25000000  0.89685169  0.79370539  1.0
  Ge  Ge2  1  0.75000000  0.44456403  0.88912806  1.0
  Ge  Ge3  1  0.25000000  0.55543597  0.11087194  1.0
  Ge  Ge4  1  0.75000000  0.74787779  0.49575758  1.0
  Ge  Ge5  1  0.25000000  0.25212221  0.50424242  1.0

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