Mn13Fe3O32

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-771188 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Mn13Fe3O32

MP-ID

mp-771188

Elements

Sites

Density

4.0460

g/cm³

Volume

572.00

Å³

Cell a

8.3006

Cell b

8.3006

Cell c

10.1260

α Angle

66.01

β Angle

66.01

γ Angle

89.49

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
18.36	4.8335	53.3	(1,1,0)
18.56	4.7799	50.1	(1,1,2)
18.57	4.7785	100.0	(1,-1,1)
35.68	2.5166	6.0	(1,1,-2)
35.68	2.5162	11.9	(3,1,1)
35.91	2.5011	12.1	(1,-1,3)
35.91	2.5010	12.0	(3,1,3)
35.92	2.5004	12.0	(3,-1,0)
36.01	2.4938	5.2	(1,1,4)
36.03	2.4929	10.5	(3,-1,2)
37.20	2.4167	5.0	(2,2,0)
37.64	2.3900	4.6	(2,2,4)
37.65	2.3893	9.1	(2,-2,2)
43.61	2.0756	33.5	(0,0,4)
43.62	2.0750	66.8	(4,0,2)
47.42	1.9172	1.8	(3,3,2)
47.42	1.9171	3.7	(3,1,-1)
47.69	1.9071	1.3	(3,3,4)
47.70	1.9068	2.5	(3,-1,-2)
47.95	1.8971	3.4	(3,1,5)
47.96	1.8968	3.4	(3,-1,4)
47.97	1.8963	3.3	(3,-3,1)
57.48	1.6032	2.7	(1,1,-4)
57.50	1.6029	5.4	(5,1,2)

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Energy Properties

Formation Energy/atom

-1.65384

eV/atom

Energy/atom

-7.96324

eV/atom

Energy above Hull

0.0937

eV/atom

Uncorrected Energy

-6.9125

eV/atom

Volume/atom

11.92

Å³

c/a Ratio

1.2199

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

51.0010

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.089160

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

0.7974

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6294

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

38.284%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8685

smaller = more stable mixing

VEC

5.063

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7258

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.572

Family

O-rich Multi-Component

Matrix Element

O · 0.667

Related Tasks

Related computation task IDs (1)

aaaecjle

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-771188

Reference Citation

The crystal structure and related material properties of Mn13Fe3O32 were obtained from the Materials Project database (MP-ID: mp-771188, 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_Mn13Fe3O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30055341
_cell_length_b   8.30055341
_cell_length_c   10.12595498
_cell_angle_alpha   66.00815883
_cell_angle_beta   66.00815883
_cell_angle_gamma   89.49452181
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn13Fe3O32
_chemical_formula_sum   'Mn13 Fe3 O32'
_cell_volume   571.99649612
_cell_formula_units_Z   1
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  0.50000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.00000000  0.50000000  0.00000000  1.0
  Mn  Mn2  1  0.37530700  0.12475900  0.75011500  1.0
  Mn  Mn3  1  0.87528700  0.62538300  0.74972400  1.0
  Mn  Mn4  1  0.62538300  0.87528700  0.74972400  1.0
  Mn  Mn5  1  0.12475900  0.37530700  0.75011500  1.0
  Mn  Mn6  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn7  1  0.75042100  0.75042100  0.50016900  1.0
  Mn  Mn8  1  0.24957900  0.24957900  0.49983100  1.0
  Mn  Mn9  1  0.37461700  0.12471300  0.25027600  1.0
  Mn  Mn10  1  0.87524100  0.62469300  0.24988500  1.0
  Mn  Mn11  1  0.12471300  0.37461700  0.25027600  1.0
  Mn  Mn12  1  0.62469300  0.87524100  0.24988500  1.0
  Fe  Fe13  1  0.24993700  0.75006300  0.00000000  1.0
  Fe  Fe14  1  0.75006300  0.24993700  0.00000000  1.0
  Fe  Fe15  1  0.50000000  0.50000000  0.50000000  1.0
  O  O16  1  0.49806800  0.77499000  0.98356800  1.0
  O  O17  1  0.77499000  0.49806800  0.98356800  1.0
  O  O18  1  0.99949200  0.27537100  0.98252100  1.0
  O  O19  1  0.27537100  0.99949200  0.98252100  1.0
  O  O20  1  0.10192400  0.60213400  0.76533200  1.0
  O  O21  1  0.60213400  0.10192400  0.76533200  1.0
  O  O22  1  0.88848800  0.38749300  0.75819500  1.0
  O  O23  1  0.38749300  0.88848800  0.75819500  1.0
  O  O24  1  0.14857300  0.14857300  0.73416500  1.0
  O  O25  1  0.36481800  0.36481800  0.73833600  1.0
  O  O26  1  0.64776000  0.64776000  0.73476100  1.0
  O  O27  1  0.86690800  0.86690800  0.73458800  1.0
  O  O28  1  0.97601900  0.75733300  0.51566800  1.0
  O  O29  1  0.25365300  0.47596700  0.51603600  1.0
  O  O30  1  0.47596700  0.25365300  0.51603600  1.0
  O  O31  1  0.75733300  0.97601900  0.51566800  1.0
  O  O32  1  0.74634700  0.52403300  0.48396400  1.0
  O  O33  1  0.52403300  0.74634700  0.48396400  1.0
  O  O34  1  0.02398100  0.24266700  0.48433200  1.0
  O  O35  1  0.24266700  0.02398100  0.48433200  1.0
  O  O36  1  0.63518200  0.63518200  0.26166400  1.0
  O  O37  1  0.13309200  0.13309200  0.26541200  1.0
  O  O38  1  0.85142700  0.85142700  0.26583500  1.0
  O  O39  1  0.35224000  0.35224000  0.26523900  1.0
  O  O40  1  0.39786600  0.89807600  0.23466800  1.0
  O  O41  1  0.61250700  0.11151200  0.24180500  1.0
  O  O42  1  0.11151200  0.61250700  0.24180500  1.0
  O  O43  1  0.89807600  0.39786600  0.23466800  1.0
  O  O44  1  0.50193200  0.22501000  0.01643200  1.0
  O  O45  1  0.22501000  0.50193200  0.01643200  1.0
  O  O46  1  0.72462900  0.00050800  0.01747900  1.0
  O  O47  1  0.00050800  0.72462900  0.01747900  1.0

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