Fe3(GeO4)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-651997 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

Fe3(GeO4)2

MP-ID

mp-651997

Elements

Sites

Density

4.8424

g/cm³

Volume

604.64

Å³

Cell a

8.4716

Cell b

8.6272

Cell c

9.3410

α Angle

62.33

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

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
11.58	7.6408	1.5	(0,1,0)
14.97	5.9189	10.3	(1,0,1)
19.07	4.6529	6.2	(0,1,2)
21.79	4.0783	1.6	(1,1,2)
23.14	3.8440	5.0	(1,2,1)
23.23	3.8294	11.7	(0,2,2)
23.28	3.8204	57.4	(0,2,0)
23.60	3.7703	8.4	(2,0,1)
23.94	3.7171	11.4	(1,0,2)
24.01	3.7067	1.9	(2,1,1)
24.02	3.7046	27.7	(2,1,0)
25.53	3.4895	59.4	(1,2,2)
25.58	3.4827	8.7	(1,2,0)
28.50	3.1323	15.5	(2,1,2)
28.53	3.1286	32.7	(2,1,-1)
28.93	3.0867	15.1	(0,1,-2)
29.56	3.0223	7.5	(2,2,1)
30.20	2.9594	93.5	(2,0,2)
30.78	2.9051	100.0	(1,1,3)
30.83	2.9002	94.7	(1,1,-2)
31.49	2.8406	9.8	(2,2,2)
31.54	2.8370	21.1	(2,2,0)
31.56	2.8346	49.4	(0,3,2)
31.82	2.8123	8.4	(1,2,-1)

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Energy Properties

Formation Energy/atom

-1.86675

eV/atom

Energy/atom

-7.57750

eV/atom

Energy above Hull

0.0294

eV/atom

Uncorrected Energy

-6.6341

eV/atom

Volume/atom

11.63

Å³

c/a Ratio

1.1026

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

56.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.092620

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.615

Element Family

Metalloid-Nonmetal

Solute Fraction

0.385

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9251

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6915

J/mol·K

Ω Parameter

4.0685

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

37.447%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7502

smaller = more stable mixing

VEC

4.923

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.206

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8421

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.520

Family

O-rich Multi-Component

Matrix Element

O · 0.615

Related Tasks

Related computation task IDs (2)

aaadrvch aaaedsvr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-651997

Reference Citation

The crystal structure and related material properties of Fe3(GeO4)2 were obtained from the Materials Project database (MP-ID: mp-651997, 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_Fe3(GeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47158900
_cell_length_b   8.62723700
_cell_length_c   9.34101120
_cell_angle_alpha   62.33298327
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3(GeO4)2
_chemical_formula_sum   'Fe12 Ge8 O32'
_cell_volume   604.64164482
_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  0.88344200  0.65740000  0.63690500  1.0
  Fe  Fe1  1  0.35929700  0.92815100  0.10988400  1.0
  Fe  Fe2  1  0.11486000  0.19489200  0.12705600  1.0
  Fe  Fe3  1  0.38344200  0.34260000  0.86309500  1.0
  Fe  Fe4  1  0.11655800  0.34260000  0.36309500  1.0
  Fe  Fe5  1  0.64070300  0.07184900  0.89011600  1.0
  Fe  Fe6  1  0.61486000  0.80510800  0.37294400  1.0
  Fe  Fe7  1  0.14070300  0.92815100  0.60988400  1.0
  Fe  Fe8  1  0.61655800  0.65740000  0.13690500  1.0
  Fe  Fe9  1  0.88514000  0.80510800  0.87294400  1.0
  Fe  Fe10  1  0.38514000  0.19489200  0.62705600  1.0
  Fe  Fe11  1  0.85929700  0.07184900  0.39011600  1.0
  Ge  Ge12  1  0.24834700  0.62933000  0.98828600  1.0
  Ge  Ge13  1  0.74834700  0.37067000  0.51171400  1.0
  Ge  Ge14  1  0.75165300  0.37067000  0.01171400  1.0
  Ge  Ge15  1  0.25165300  0.62933000  0.48828600  1.0
  Ge  Ge16  1  0.48028800  0.21998800  0.26660100  1.0
  Ge  Ge17  1  0.51971200  0.78001200  0.73339900  1.0
  Ge  Ge18  1  0.98028800  0.78001200  0.23339900  1.0
  Ge  Ge19  1  0.01971200  0.21998800  0.76660100  1.0
  O  O20  1  0.62190700  0.05185600  0.36455100  1.0
  O  O21  1  0.65089400  0.56599600  0.38508200  1.0
  O  O22  1  0.84910600  0.56599600  0.88508200  1.0
  O  O23  1  0.87809300  0.05185600  0.86455100  1.0
  O  O24  1  0.10873100  0.59160000  0.36017000  1.0
  O  O25  1  0.62707500  0.70716900  0.61528800  1.0
  O  O26  1  0.90276900  0.91297000  0.62714500  1.0
  O  O27  1  0.09723100  0.08703000  0.37285500  1.0
  O  O28  1  0.11929300  0.79690200  0.86012700  1.0
  O  O29  1  0.34910600  0.43400400  0.61491800  1.0
  O  O30  1  0.88070700  0.20309800  0.13987300  1.0
  O  O31  1  0.60873100  0.40840000  0.13983000  1.0
  O  O32  1  0.37292500  0.29283100  0.38471200  1.0
  O  O33  1  0.87292500  0.70716900  0.11528800  1.0
  O  O34  1  0.36873000  0.70297600  0.09848300  1.0
  O  O35  1  0.13127000  0.70297600  0.59848300  1.0
  O  O36  1  0.40276900  0.08703000  0.87285500  1.0
  O  O37  1  0.63127000  0.29702400  0.90151700  1.0
  O  O38  1  0.38070700  0.79690200  0.36012700  1.0
  O  O39  1  0.37809300  0.94814400  0.63544900  1.0
  O  O40  1  0.13964300  0.17294000  0.63184100  1.0
  O  O41  1  0.63964300  0.82706000  0.86815900  1.0
  O  O42  1  0.86873000  0.29702400  0.40151700  1.0
  O  O43  1  0.86035700  0.82706000  0.36815900  1.0
  O  O44  1  0.12190700  0.94814400  0.13544900  1.0
  O  O45  1  0.15089400  0.43400400  0.11491800  1.0
  O  O46  1  0.61929300  0.20309800  0.63987300  1.0
  O  O47  1  0.89126900  0.40840000  0.63983000  1.0
  O  O48  1  0.12707500  0.29283100  0.88471200  1.0
  O  O49  1  0.36035700  0.17294000  0.13184100  1.0
  O  O50  1  0.59723100  0.91297000  0.12714500  1.0
  O  O51  1  0.39126900  0.59160000  0.86017000  1.0

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