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FeGe

Elasticity Data ELA

MP-ID: mp-21255 · Space group: P2_13 (#198)

Basic Information

Formula
FeGe
MP-ID
mp-21255
Elements
2
Sites
8
Density
8.1375
g/cm³
Volume
104.87
ų
Cell a
4.7158
Å
Cell b
4.7158
Å
Cell c
4.7158
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_13
Point Group
23
Crystal System
Cubic
Bravais Lattice
Cubic P
Stability
No
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
26.73 3.3346 1.0 (1,1,0)
26.73 3.3346 1.0 (1,0,1)
32.90 2.7227 25.6 (1,1,-1)
32.90 2.7227 25.6 (1,1,1)
32.90 2.7227 25.6 (1,-1,-1)
32.90 2.7227 25.6 (1,-1,1)
38.17 2.3579 16.6 (0,2,0)
38.17 2.3579 16.6 (0,0,2)
38.17 2.3579 16.6 (2,0,0)
42.88 2.1090 100.0 (2,1,0)
42.88 2.1090 100.0 (1,0,-2)
42.88 2.1090 100.0 (0,2,-1)
42.88 2.1090 100.0 (0,2,1)
42.88 2.1090 100.0 (1,0,2)
42.88 2.1090 100.0 (2,-1,0)
47.21 1.9252 28.0 (2,1,-1)
47.21 1.9252 28.0 (1,2,-1)
47.21 1.9252 28.0 (1,1,-2)
47.21 1.9252 28.0 (1,2,1)
47.21 1.9252 56.0 (2,1,1)
47.21 1.9252 28.0 (2,-1,-1)
47.21 1.9252 28.0 (1,1,2)
47.21 1.9252 28.0 (1,-1,2)
47.21 1.9252 28.0 (1,-2,1)
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Energy Properties

Formation Energy/atom
-0.01257
eV/atom
Energy/atom
-6.55910
eV/atom
Energy above Hull
0.1096
eV/atom
Uncorrected Energy
-14.0275
eV/atom
Volume/atom
13.11
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.091
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
7.9955
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.076240
μB/ų

Elastic Properties

KVRH
156.708
GPa
GVRH
82.565
GPa
Young's Modulus E
210.692
GPa
Poisson Ratio ν
0.276
Pugh Ratio K/G
1.898
Vickers Hardness Est.
9.495
GPa
Ductility
Brittle
Anisotropy
0.179
Lame λ
101.665
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Fe · 0.500
Element Family
3d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1790
Homogeneous Poisson ν
0.2760
Debye Temperature
447.8
K
Sound Velocity
3,547.3
m/s
Homogeneity
0.2760

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-21255
Reference Citation

The crystal structure and related material properties of FeGe were obtained from the Materials Project database (MP-ID: mp-21255, 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_FeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71580636
_cell_length_b   4.71581160
_cell_length_c   4.71580877
_cell_angle_alpha   90.00035016
_cell_angle_beta   90.00063410
_cell_angle_gamma   89.99924368
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe
_chemical_formula_sum   'Fe4 Ge4'
_cell_volume   104.87418430
_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
  Fe  Fe0  1  0.13474706  0.13476284  0.13475814  1.0
  Fe  Fe1  1  0.36522226  0.86524720  0.63475045  1.0
  Fe  Fe2  1  0.63475264  0.36525525  0.86527840  1.0
  Fe  Fe3  1  0.86527541  0.63473779  0.36523493  1.0
  Ge  Ge4  1  0.84497443  0.84497230  0.84494731  1.0
  Ge  Ge5  1  0.65504135  0.15502413  0.34493944  1.0
  Ge  Ge6  1  0.34492420  0.65507591  0.15505233  1.0
  Ge  Ge7  1  0.15506265  0.34492458  0.65503899  1.0
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