FeGe3
Traditional Materials TRAMP-ID: mp-1184472 · Space group: P6_3/mmc (#194)
Basic Information
Formula
FeGe3
MP-ID
mp-1184472
Elements
2
Sites
8
Density
6.8383
g/cm³
Volume
132.96
ų
Cell a
5.6611
Å
Cell b
5.6611
Å
Cell c
4.7904
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 16)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 26.01 | 3.4263 | 2.7 | (1,0,-1,1) |
| 36.66 | 2.4513 | 23.6 | (2,0,-2,0) |
| 37.55 | 2.3952 | 29.9 | (0,0,0,2) |
| 41.38 | 2.1822 | 100.0 | (2,0,-2,1) |
| 53.49 | 1.7132 | 15.4 | (2,0,-2,2) |
| 66.01 | 1.4153 | 10.2 | (4,-2,-2,0) |
| 66.01 | 1.4153 | 5.1 | (2,2,-4,0) |
| 70.37 | 1.3380 | 19.6 | (2,0,-2,3) |
| 77.95 | 1.2257 | 1.5 | (4,0,-4,0) |
| 78.50 | 1.2185 | 12.3 | (4,-2,-2,2) |
| 78.50 | 1.2185 | 6.1 | (2,2,-4,2) |
| 80.14 | 1.1976 | 3.1 | (0,0,0,4) |
| 80.97 | 1.1874 | 4.2 | (4,-4,0,1) |
| 80.97 | 1.1874 | 8.4 | (4,0,-4,1) |
| 89.91 | 1.0911 | 1.1 | (4,-4,0,2) |
| 89.91 | 1.0911 | 2.2 | (4,0,-4,2) |
Energy Properties
Formation Energy/atom
0.42333
eV/atom
Energy/atom
-5.16144
eV/atom
Energy above Hull
0.4844
eV/atom
Uncorrected Energy
-5.1614
eV/atom
Volume/atom
16.62
ų
c/a Ratio
0.8462
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
4.7533
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.035750
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.441
Family
Binary Alloy
Matrix Element
Ge · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184472
Reference Citation
The crystal structure and related material properties of FeGe3 were obtained from the Materials Project database (MP-ID: mp-1184472, 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_FeGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66113052
_cell_length_b 5.66113052
_cell_length_c 4.79037300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000613
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeGe3
_chemical_formula_sum 'Fe2 Ge6'
_cell_volume 132.95548915
_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
Fe Fe0 1 0.33333300 0.66666700 0.75000000 1.0
Fe Fe1 1 0.66666700 0.33333300 0.25000000 1.0
Ge Ge2 1 0.17499000 0.34998100 0.25000000 1.0
Ge Ge3 1 0.65001900 0.82501000 0.25000000 1.0
Ge Ge4 1 0.17499000 0.82501000 0.25000000 1.0
Ge Ge5 1 0.82501000 0.65001900 0.75000000 1.0
Ge Ge6 1 0.34998100 0.17499000 0.75000000 1.0
Ge Ge7 1 0.82501000 0.17499000 0.75000000 1.0
