Navigation

HEAS Data Platform · Materials Science Database

FeGe2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-640708 · Space group: Cmce (#64)

Basic Information

Formula
FeGe2
MP-ID
mp-640708
Elements
2
Sites
24
Density
7.8212
g/cm³
Volume
341.61
ų
Cell a
6.5789
Å
Cell b
6.5789
Å
Cell c
8.1702
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
104.98
°
Space Group
Cmce
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
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
17.68 5.0164 1.0 (1,0,1)
24.75 3.5969 3.8 (1,1,1)
27.73 3.2167 39.6 (1,-1,2)
28.08 3.1777 20.2 (2,0,0)
28.08 3.1777 20.2 (0,2,0)
30.18 2.9616 8.2 (2,0,1)
31.27 2.8603 76.7 (1,1,2)
34.37 2.6093 47.0 (2,-2,0)
35.70 2.5148 34.8 (2,-1,2)
35.87 2.5033 1.6 (1,0,3)
36.42 2.4666 1.2 (2,1,1)
36.42 2.4666 1.2 (1,2,1)
40.03 2.2522 10.8 (1,1,3)
41.30 2.1858 5.5 (2,1,2)
42.82 2.1121 22.1 (3,-1,1)
43.70 2.0716 14.0 (2,-1,3)
44.16 2.0507 16.7 (3,0,1)
44.35 2.0426 38.7 (0,0,4)
45.27 2.0030 42.6 (2,2,0)
46.30 1.9610 13.0 (3,-2,1)
46.69 1.9454 38.8 (2,2,1)
46.71 1.9446 49.5 (1,0,4)
47.15 1.9277 100.0 (3,-1,2)
47.15 1.9277 100.0 (1,-3,2)
Get direct link

Energy Properties

Formation Energy/atom
-0.00417
eV/atom
Energy/atom
-5.90953
eV/atom
Energy above Hull
0.0773
eV/atom
Uncorrected Energy
-13.8702
eV/atom
Volume/atom
14.23
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
128.509
GPa
GVRH
67.937
GPa
Young's Modulus E
173.276
GPa
Poisson Ratio ν
0.275
Pugh Ratio K/G
1.892
Vickers Hardness Est.
8.192
GPa
Ductility
Brittle
Anisotropy
0.257
Lame λ
83.218
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.571
Family
Binary Alloy
Matrix Element
Ge · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2570
Homogeneous Poisson ν
0.2750
Debye Temperature
403.1
K
Sound Velocity
3,281.9
m/s
Homogeneity
0.2750

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-640708
Reference Citation

The crystal structure and related material properties of FeGe2 were obtained from the Materials Project database (MP-ID: mp-640708, 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_FeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57891592
_cell_length_b   6.57891490
_cell_length_c   8.17020091
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.97646595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2
_chemical_formula_sum   'Fe8 Ge16'
_cell_volume   341.61181104
_cell_formula_units_Z   8
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  0.69715365  0.69715365  0.68762141  1.0
  Fe  Fe1  1  0.30284635  0.30284635  0.31237859  1.0
  Fe  Fe2  1  0.28178233  0.71821767  0.50000000  1.0
  Fe  Fe3  1  0.78178233  0.21821767  0.00000000  1.0
  Fe  Fe4  1  0.19715365  0.19715365  0.81237859  1.0
  Fe  Fe5  1  0.71821767  0.28178233  0.50000000  1.0
  Fe  Fe6  1  0.21821767  0.78178233  0.00000000  1.0
  Fe  Fe7  1  0.80284635  0.80284635  0.18762141  1.0
  Ge  Ge8  1  0.35529938  0.10063455  0.54386510  1.0
  Ge  Ge9  1  0.91294304  0.16638079  0.26869361  1.0
  Ge  Ge10  1  0.10063455  0.35529938  0.54386510  1.0
  Ge  Ge11  1  0.41294304  0.66638079  0.23130639  1.0
  Ge  Ge12  1  0.83361921  0.08705696  0.73130639  1.0
  Ge  Ge13  1  0.89936545  0.64470062  0.45613490  1.0
  Ge  Ge14  1  0.64470062  0.89936545  0.45613490  1.0
  Ge  Ge15  1  0.60063455  0.85529938  0.95613490  1.0
  Ge  Ge16  1  0.33361921  0.58705696  0.76869361  1.0
  Ge  Ge17  1  0.66638079  0.41294304  0.23130639  1.0
  Ge  Ge18  1  0.39936545  0.14470062  0.04386510  1.0
  Ge  Ge19  1  0.08705696  0.83361921  0.73130639  1.0
  Ge  Ge20  1  0.58705696  0.33361921  0.76869361  1.0
  Ge  Ge21  1  0.16638079  0.91294304  0.26869361  1.0
  Ge  Ge22  1  0.14470062  0.39936545  0.04386510  1.0
  Ge  Ge23  1  0.85529938  0.60063455  0.95613490  1.0
Get direct link