Mn7Fe3O20

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-777317 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Mn7Fe3O20

MP-ID

mp-777317

Elements

Sites

Density

4.0259

g/cm³

Volume

719.42

Å³

Cell a

5.8847

Cell b

5.8847

Cell c

24.3774

α Angle

83.23

β Angle

83.23

γ Angle

59.33

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
18.37	4.8305	52.6	(0,0,5)
18.37	4.8284	52.4	(1,1,-1)
18.58	4.7754	100.0	(1,0,2)
35.66	2.5175	12.3	(1,0,-8)
35.67	2.5169	12.2	(2,1,-4)
35.67	2.5168	5.6	(1,1,9)
35.69	2.5159	5.7	(2,2,3)
35.79	2.5086	12.4	(2,1,6)
36.01	2.4943	11.1	(1,-1,5)
36.01	2.4940	10.9	(2,0,-1)
37.23	2.4152	5.0	(0,0,10)
37.24	2.4142	4.9	(2,2,-2)
37.67	2.3877	9.3	(2,0,4)
43.41	2.0847	33.9	(2,2,8)
43.58	2.0768	66.9	(2,0,-6)
47.30	1.9218	1.5	(1,1,-11)
47.31	1.9214	1.4	(2,2,-7)
47.49	1.9147	3.7	(1,0,12)
47.51	1.9139	3.7	(3,2,0)
47.76	1.9043	2.8	(2,0,9)
47.77	1.9040	2.8	(3,1,3)
48.11	1.8912	3.4	(2,-1,2)
57.39	1.6055	2.7	(2,2,13)
57.41	1.6051	2.7	(3,3,7)

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Energy Properties

Formation Energy/atom

-1.58026

eV/atom

Energy/atom

-7.86371

eV/atom

Energy above Hull

0.1223

eV/atom

Uncorrected Energy

-6.7909

eV/atom

Volume/atom

11.99

Å³

c/a Ratio

4.1425

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

65.9998

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.091740

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8401

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.9849

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

38.237%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8546

smaller = more stable mixing

VEC

5.100

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7647

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.529

Family

O-rich Multi-Component

Matrix Element

O · 0.667

Related Tasks

Related computation task IDs (1)

aaaedjdz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-777317

Reference Citation

The crystal structure and related material properties of Mn7Fe3O20 were obtained from the Materials Project database (MP-ID: mp-777317, 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_Mn7Fe3O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88468063
_cell_length_b   5.88468063
_cell_length_c   24.37743183
_cell_angle_alpha   83.23401190
_cell_angle_beta   83.23401190
_cell_angle_gamma   59.33374312
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn7Fe3O20
_chemical_formula_sum   'Mn14 Fe6 O40'
_cell_volume   719.41612024
_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
  Mn  Mn0  1  0.30063600  0.30063600  0.09967800  1.0
  Mn  Mn1  1  0.29798600  0.80334100  0.09987400  1.0
  Mn  Mn2  1  0.70201400  0.19665900  0.90012600  1.0
  Mn  Mn3  1  0.19665900  0.70201400  0.90012600  1.0
  Mn  Mn4  1  0.80334100  0.29798600  0.09987400  1.0
  Mn  Mn5  1  0.69936400  0.69936400  0.90032200  1.0
  Mn  Mn6  1  0.10022500  0.60354500  0.69977400  1.0
  Mn  Mn7  1  0.39645500  0.89977500  0.30022600  1.0
  Mn  Mn8  1  0.60354500  0.10022500  0.69977400  1.0
  Mn  Mn9  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn10  1  0.89977500  0.39645500  0.30022600  1.0
  Mn  Mn11  1  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn12  1  0.70308500  0.70308500  0.39997900  1.0
  Mn  Mn13  1  0.29691500  0.29691500  0.60002100  1.0
  Fe  Fe14  1  0.90205700  0.90205700  0.80011600  1.0
  Fe  Fe15  1  0.09794300  0.09794300  0.19988400  1.0
  Fe  Fe16  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe17  1  0.10210900  0.10210900  0.70019400  1.0
  Fe  Fe18  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe19  1  0.89789100  0.89789100  0.29980600  1.0
  O  O20  1  0.41133800  0.97334900  0.14516900  1.0
  O  O21  1  0.97334900  0.41133800  0.14516900  1.0
  O  O22  1  0.85499600  0.85499600  0.94067800  1.0
  O  O23  1  0.45329400  0.45329400  0.14041600  1.0
  O  O24  1  0.62830000  0.18949200  0.05433300  1.0
  O  O25  1  0.18949200  0.62830000  0.05433300  1.0
  O  O26  1  0.58866200  0.02665100  0.85483100  1.0
  O  O27  1  0.63062300  0.63062300  0.05459700  1.0
  O  O28  1  0.36937700  0.36937700  0.94540300  1.0
  O  O29  1  0.97041800  0.97041800  0.14489400  1.0
  O  O30  1  0.81050800  0.37170000  0.94566700  1.0
  O  O31  1  0.37170000  0.81050800  0.94566700  1.0
  O  O32  1  0.76364200  0.21974900  0.74636600  1.0
  O  O33  1  0.94538800  0.94538800  0.65911200  1.0
  O  O34  1  0.14500400  0.14500400  0.05932200  1.0
  O  O35  1  0.54670600  0.54670600  0.85958400  1.0
  O  O36  1  0.02665100  0.58866200  0.85483100  1.0
  O  O37  1  0.02958200  0.02958200  0.85510600  1.0
  O  O38  1  0.42976700  0.42976700  0.65301900  1.0
  O  O39  1  0.99046800  0.43741800  0.65254900  1.0
  O  O40  1  0.21974900  0.76364200  0.74636600  1.0
  O  O41  1  0.17395000  0.17395100  0.54689000  1.0
  O  O42  1  0.77227000  0.77227000  0.74559900  1.0
  O  O43  1  0.16529000  0.61345200  0.54783000  1.0
  O  O44  1  0.83471000  0.38654800  0.45217000  1.0
  O  O45  1  0.25899900  0.25899900  0.74118500  1.0
  O  O46  1  0.43741800  0.99046800  0.65254900  1.0
  O  O47  1  0.65863300  0.65863300  0.54088200  1.0
  O  O48  1  0.05461200  0.05461200  0.34088800  1.0
  O  O49  1  0.22773000  0.22773000  0.25440100  1.0
  O  O50  1  0.82605000  0.82605000  0.45311000  1.0
  O  O51  1  0.38654800  0.83471000  0.45217000  1.0
  O  O52  1  0.61345200  0.16529000  0.54783000  1.0
  O  O53  1  0.57023300  0.57023300  0.34698100  1.0
  O  O54  1  0.00953200  0.56258200  0.34745100  1.0
  O  O55  1  0.56258200  0.00953200  0.34745100  1.0
  O  O56  1  0.34136700  0.34136700  0.45911800  1.0
  O  O57  1  0.74100100  0.74100100  0.25881500  1.0
  O  O58  1  0.23635800  0.78025100  0.25363400  1.0
  O  O59  1  0.78025100  0.23635800  0.25363400  1.0

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