NdGe
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-663 · Space group: Cmcm (#63)
Basic Information
Formula
NdGe
MP-ID
mp-663
Elements
2
Sites
4
Density
7.1517
g/cm³
Volume
100.72
ų
Cell a
4.0573
Å
Cell b
4.4778
Å
Cell c
5.9790
Å
α Angle
112.00
°
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 |
|---|---|---|---|
| 15.99 | 5.5436 | 2.9 | (0,0,1) |
| 21.40 | 4.1522 | 4.1 | (0,1,-1) |
| 21.40 | 4.1517 | 4.1 | (0,1,0) |
| 27.24 | 3.2741 | 38.8 | (1,0,1) |
| 30.81 | 2.9019 | 100.0 | (1,1,-1) |
| 30.81 | 2.9017 | 99.9 | (1,1,0) |
| 31.38 | 2.8506 | 36.4 | (0,1,-2) |
| 31.39 | 2.8501 | 36.4 | (0,1,1) |
| 32.30 | 2.7718 | 58.4 | (0,0,2) |
| 38.60 | 2.3325 | 55.4 | (1,1,-2) |
| 38.61 | 2.3322 | 55.4 | (1,1,1) |
| 39.37 | 2.2887 | 32.0 | (1,0,2) |
| 40.28 | 2.2389 | 54.0 | (0,2,-1) |
| 44.67 | 2.0287 | 40.1 | (2,0,0) |
| 49.31 | 1.8482 | 7.8 | (1,2,-2) |
| 49.31 | 1.8480 | 7.8 | (1,2,0) |
| 51.18 | 1.7847 | 9.5 | (1,1,-3) |
| 51.19 | 1.7845 | 9.5 | (1,1,2) |
| 52.54 | 1.7418 | 14.7 | (0,2,-3) |
| 52.55 | 1.7415 | 14.7 | (0,2,1) |
| 54.57 | 1.6817 | 16.6 | (1,0,3) |
| 55.60 | 1.6528 | 14.4 | (2,1,-2) |
| 55.61 | 1.6527 | 14.4 | (2,1,1) |
| 56.19 | 1.6371 | 24.0 | (2,0,2) |
Energy Properties
Formation Energy/atom
-0.94724
eV/atom
Energy/atom
-22.59223
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.5922
eV/atom
Volume/atom
25.18
ų
c/a Ratio
1.4736
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0001
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
71.314
GPa
GVRH
47.984
GPa
Young's Modulus E
117.580
GPa
Poisson Ratio ν
0.225
Pugh Ratio K/G
1.486
Vickers Hardness Est.
9.110
GPa
Ductility
Ductile
Anisotropy
0.722
Lame λ
39.325
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Nd · 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
Nd · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7220
Homogeneous Poisson ν
0.2250
Debye Temperature
291.2
K
Sound Velocity
2,867.5
m/s
Homogeneity
0.2250
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-663
Reference Citation
The crystal structure and related material properties of NdGe were obtained from the Materials Project database (MP-ID: mp-663, 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_NdGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05732825
_cell_length_b 4.47774796
_cell_length_c 5.97904324
_cell_angle_alpha 112.00086119
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NdGe
_chemical_formula_sum 'Nd2 Ge2'
_cell_volume 100.71512763
_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
Nd Nd0 1 0.25000000 0.86151947 0.72298434 1.0
Nd Nd1 1 0.75000000 0.13848053 0.27701566 1.0
Ge Ge2 1 0.25000000 0.58041192 0.16094410 1.0
Ge Ge3 1 0.75000000 0.41958808 0.83905590 1.0
