Fe6Ge5

Traditional Materials TRA

MP-ID: mp-636946 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Fe6Ge5

MP-ID

mp-636946

Elements

Sites

Density

8.1739

g/cm³

Volume

283.71

Å³

Cell a

6.3017

Cell b

6.3017

Cell c

7.7979

α Angle

74.69

β Angle

74.69

γ Angle

76.65

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
12.05	7.3427	1.7	(0,0,1)
25.57	3.4837	1.4	(1,0,2)
25.83	3.4497	3.3	(1,-1,1)
31.00	2.8843	1.8	(2,1,0)
32.95	2.7187	1.2	(2,1,2)
33.49	2.6758	17.0	(1,-1,2)
34.31	2.6133	9.3	(2,0,2)
34.73	2.5831	7.3	(2,0,-1)
35.22	2.5484	11.9	(1,1,3)
35.79	2.5089	18.8	(2,-1,0)
35.89	2.5021	14.0	(1,1,-2)
36.35	2.4713	13.8	(2,2,1)
36.53	2.4597	2.3	(1,0,3)
36.72	2.4476	2.2	(0,0,3)
36.79	2.4429	2.2	(2,-1,1)
36.87	2.4376	1.4	(2,1,-1)
38.18	2.3571	2.0	(2,2,2)
40.18	2.2446	1.7	(2,1,3)
41.72	2.1649	13.3	(2,-1,2)
42.34	2.1346	10.0	(2,0,3)
42.84	2.1111	3.7	(1,0,-3)
42.92	2.1072	8.4	(2,0,-2)
43.64	2.0743	100.0	(1,-1,3)
43.73	2.0702	44.1	(2,2,3)

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Energy Properties

Formation Energy/atom

-0.09174

eV/atom

Energy/atom

-6.81313

eV/atom

Energy above Hull

0.0367

eV/atom

Uncorrected Energy

-6.8131

eV/atom

Volume/atom

12.90

Å³

c/a Ratio

1.2374

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

18.9523

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.066800

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Fe · 0.545

Element Family

N/A

Solute Fraction

0.455

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.782

Family

Fe-rich Alloy

Matrix Element

Fe · 0.545

Related Tasks

Related computation task IDs (4)

aaadothu aaadrlzv aaaecqhb aaaetkvh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-636946

Reference Citation

The crystal structure and related material properties of Fe6Ge5 were obtained from the Materials Project database (MP-ID: mp-636946, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Fe6Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30166754
_cell_length_b   6.30166754
_cell_length_c   7.79789335
_cell_angle_alpha   74.68624363
_cell_angle_beta   74.68624363
_cell_angle_gamma   76.65132412
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6Ge5
_chemical_formula_sum   'Fe12 Ge10'
_cell_volume   283.70900005
_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  0.12365600  0.12365600  0.98271000  1.0
  Fe  Fe1  1  0.97624700  0.45561600  0.17554800  1.0
  Fe  Fe2  1  0.42129100  0.42129100  0.27883000  1.0
  Fe  Fe3  1  0.25234300  0.74765700  0.50000000  1.0
  Fe  Fe4  1  0.57870900  0.57870900  0.72117000  1.0
  Fe  Fe5  1  0.02375300  0.54438400  0.82445200  1.0
  Fe  Fe6  1  0.87634400  0.87634400  0.01729000  1.0
  Fe  Fe7  1  0.45561600  0.97624700  0.17554800  1.0
  Fe  Fe8  1  0.74765700  0.25234300  0.50000000  1.0
  Fe  Fe9  1  0.54438400  0.02375300  0.82445200  1.0
  Fe  Fe10  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe11  1  0.00000000  0.50000000  0.50000000  1.0
  Ge  Ge12  1  0.34356100  0.34356100  0.62741600  1.0
  Ge  Ge13  1  0.36415500  0.36415500  0.99400900  1.0
  Ge  Ge14  1  0.24270900  0.84711000  0.78729200  1.0
  Ge  Ge15  1  0.14942600  0.14942600  0.39925700  1.0
  Ge  Ge16  1  0.84711000  0.24270900  0.78729200  1.0
  Ge  Ge17  1  0.63584500  0.63584500  0.00599100  1.0
  Ge  Ge18  1  0.15289000  0.75729100  0.21270800  1.0
  Ge  Ge19  1  0.85057400  0.85057400  0.60074300  1.0
  Ge  Ge20  1  0.65643900  0.65643900  0.37258400  1.0
  Ge  Ge21  1  0.75729100  0.15289000  0.21270800  1.0

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