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NiGe

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1099 · Space group: Pnma (#62)

Basic Information

Formula
NiGe
MP-ID
mp-1099
Elements
2
Sites
8
Density
8.2190
g/cm³
Volume
106.14
ų
Cell a
3.4509
Å
Cell b
5.3297
Å
Cell c
5.7707
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
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
30.17 2.9617 9.8 (1,0,1)
30.99 2.8854 1.8 (0,0,2)
34.65 2.5889 98.4 (1,1,1)
35.38 2.5374 54.3 (0,1,2)
37.16 2.4193 6.0 (0,2,1)
42.88 2.1092 24.6 (1,2,0)
44.31 2.0443 66.4 (1,1,2)
45.80 1.9810 100.0 (1,2,1)
46.38 1.9577 32.4 (0,2,2)
50.44 1.8093 14.8 (0,1,3)
53.08 1.7255 39.7 (2,0,0)
53.84 1.7028 3.3 (1,2,2)
54.01 1.6979 25.8 (0,3,1)
54.62 1.6802 39.9 (1,0,3)
59.24 1.5597 8.4 (0,2,3)
60.80 1.5235 4.7 (1,3,1)
61.27 1.5128 1.5 (0,3,2)
64.60 1.4427 1.6 (0,0,4)
65.41 1.4268 17.4 (2,1,2)
65.70 1.4213 3.1 (1,2,3)
66.57 1.4048 2.1 (2,2,1)
67.23 1.3926 6.0 (0,1,4)
67.62 1.3855 1.4 (1,3,2)
70.70 1.3324 3.7 (0,4,0)
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Energy Properties

Formation Energy/atom
-0.26575
eV/atom
Energy/atom
-13.19260
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.1926
eV/atom
Volume/atom
13.27
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
137.060
GPa
GVRH
52.238
GPa
Young's Modulus E
139.049
GPa
Poisson Ratio ν
0.331
Pugh Ratio K/G
2.624
Vickers Hardness Est.
3.545
GPa
Ductility
Brittle
Anisotropy
3.323
Lame λ
102.235
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ni · 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
0.789
Family
Ni-based Alloy
Matrix Element
Ni · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
3.3230
Homogeneous Poisson ν
0.3310
Debye Temperature
355.5
K
Sound Velocity
2,827.3
m/s
Homogeneity
0.3310

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1099
Reference Citation

The crystal structure and related material properties of NiGe were obtained from the Materials Project database (MP-ID: mp-1099, 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_NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45091852
_cell_length_b   5.32965429
_cell_length_c   5.77072917
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe
_chemical_formula_sum   'Ni4 Ge4'
_cell_volume   106.13642059
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.25000000  0.50554278  0.30926607  1.0
  Ni  Ni1  1  0.75000000  0.49445722  0.69073393  1.0
  Ni  Ni2  1  0.25000000  0.00554278  0.19073393  1.0
  Ni  Ni3  1  0.75000000  0.99445722  0.80926607  1.0
  Ge  Ge4  1  0.25000000  0.68965650  0.91301742  1.0
  Ge  Ge5  1  0.75000000  0.31034350  0.08698258  1.0
  Ge  Ge6  1  0.25000000  0.18965650  0.58698258  1.0
  Ge  Ge7  1  0.75000000  0.81034350  0.41301742  1.0
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