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
oC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 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) |
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
1.4396
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.
-
GPa
Ductility
Ductile
Anisotropy
1.017
Lame λ
51.409
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
A
Score
0.624
Family
Binary Alloy
Matrix Element
Sc · 0.500
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
3D Crystal Structure Rendering
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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
