ScGe

传统材料 TRA

MP-ID: mp-1009753 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

ScGe

MP-ID

mp-1009753

Elements

Sites

Density

3.2349

g/cm³

Volume

60.36

Å³

Cell a

4.4032

Cell b

4.4032

Cell c

4.4032

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 11)

2θ	d (Å)	I	hkl
24.76	3.5952	100.0	(1,1,1)
28.67	3.1135	5.9	(1,1,0)
41.00	2.2016	71.4	(2,1,1)
48.49	1.8775	46.1	(2,2,1)
50.79	1.7976	1.9	(2,2,2)
59.37	1.5568	11.3	(2,2,0)
65.32	1.4286	18.2	(3,2,2)
67.24	1.3924	2.6	(3,2,1)
74.67	1.2711	22.3	(3,3,2)
80.08	1.1984	13.3	(3,3,3)
88.91	1.1008	7.1	(4,2,2)

Get direct link

Energy Properties

Formation Energy/atom

0.19394

eV/atom

Energy/atom

-12.44129

eV/atom

Energy above Hull

1.0796

eV/atom

Uncorrected Energy

-5.2260

eV/atom

Volume/atom

30.18

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0002

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.016570

μB/Å³

Elastic Properties

K_VRH

42.391

GPa

G_VRH

-24.339

GPa

Young's Modulus E

GPa

Poisson Ratio ν

Pugh Ratio K/G

-1.742

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

0.312

Lame λ

58.617

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sc · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.424

Family

Binary Alloy

Matrix Element

Sc · 0.500

Related Tasks

Related computation task IDs (5)

aaacikck aaadutsq aaadxzfp aaaetncf aaafwumy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1009753

Reference Citation

The crystal structure and related material properties of ScGe were obtained from the Materials Project database (MP-ID: mp-1009753, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_ScGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40315393
_cell_length_b   4.40315393
_cell_length_c   4.40315393
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGe
_chemical_formula_sum   'Sc1 Ge1'
_cell_volume   60.36380477
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  Ge  Ge1  1  0.25000000  0.25000000  0.25000000  1.0

Get direct link