Mn13Cu11O32

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-759736 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Mn13Cu11O32

MP-ID

mp-759736

Elements

Sites

Density

5.2648

g/cm³

Volume

607.21

Å³

Cell a

6.0327

Cell b

6.0327

Cell c

19.6823

α Angle

83.53

β Angle

83.53

γ Angle

58.75

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
18.10	4.9000	11.6	(1,0,-1)
18.18	4.8792	10.5	(0,0,4)
18.23	4.8672	9.1	(1,1,2)
20.33	4.3691	1.3	(1,1,-2)
29.59	3.0186	67.8	(1,0,-5)
29.65	3.0129	61.6	(2,1,1)
30.20	2.9590	35.3	(1,-1,0)
30.45	2.9355	26.4	(1,1,6)
34.31	2.6134	100.0	(2,1,-3)
34.33	2.6120	45.5	(1,1,-6)
34.41	2.6065	47.2	(2,2,0)
35.48	2.5301	80.8	(1,-1,4)
35.50	2.5284	86.6	(2,0,2)
35.63	2.5198	91.2	(1,0,7)
35.68	2.5165	93.4	(2,1,5)
36.68	2.4500	25.6	(2,0,-2)
36.84	2.4396	8.7	(0,0,8)
36.94	2.4336	8.0	(2,2,4)
41.33	2.1846	29.7	(2,2,-4)
43.42	2.0840	50.9	(2,0,6)
46.43	1.9559	1.1	(3,1,0)
52.04	1.7575	8.5	(3,1,-4)
52.12	1.7548	7.2	(1,1,-10)
52.27	1.7503	7.3	(3,3,2)

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Energy Properties

Formation Energy/atom

-1.52827

eV/atom

Energy/atom

-7.28778

eV/atom

Energy above Hull

0.0342

eV/atom

Uncorrected Energy

-6.5080

eV/atom

Volume/atom

10.84

Å³

c/a Ratio

3.2626

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

43.6474

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.071880

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9785

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1351

J/mol·K

Ω Parameter

7.2553

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

37.549%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8635

smaller = more stable mixing

VEC

6.071

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.730

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8907

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.532

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (1)

aaaegewv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-759736

Reference Citation

The crystal structure and related material properties of Mn13Cu11O32 were obtained from the Materials Project database (MP-ID: mp-759736, 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_Mn13Cu11O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03267779
_cell_length_b   6.03267779
_cell_length_c   19.68232296
_cell_angle_alpha   83.52652893
_cell_angle_beta   83.52652893
_cell_angle_gamma   58.74643313
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn13Cu11O32
_chemical_formula_sum   'Mn13 Cu11 O32'
_cell_volume   607.20619401
_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  0.62552300  0.12593000  0.62431100  1.0
  Mn  Mn1  1  0.75087900  0.75087900  0.75055100  1.0
  Mn  Mn2  1  0.12593000  0.62552300  0.62431100  1.0
  Mn  Mn3  1  0.37509700  0.37509700  0.37572500  1.0
  Mn  Mn4  1  0.62490300  0.62490300  0.62427500  1.0
  Mn  Mn5  1  0.87407000  0.37447700  0.37568900  1.0
  Mn  Mn6  1  0.37447700  0.87407000  0.37568900  1.0
  Mn  Mn7  1  0.24912100  0.24912100  0.24944900  1.0
  Mn  Mn8  1  0.62537400  0.12603200  0.12439600  1.0
  Mn  Mn9  1  0.12603200  0.62537400  0.12439600  1.0
  Mn  Mn10  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn11  1  0.87396800  0.37462600  0.87560400  1.0
  Mn  Mn12  1  0.37462600  0.87396800  0.87560400  1.0
  Cu  Cu13  1  0.09706300  0.09706300  0.71910000  1.0
  Cu  Cu14  1  0.15116300  0.15116300  0.53357700  1.0
  Cu  Cu15  1  0.39914900  0.39914900  0.78333400  1.0
  Cu  Cu16  1  0.84883700  0.84883700  0.46642300  1.0
  Cu  Cu17  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu18  1  0.90293700  0.90293700  0.28090000  1.0
  Cu  Cu19  1  0.12495600  0.12495600  0.12428700  1.0
  Cu  Cu20  1  0.60085100  0.60085100  0.21666600  1.0
  Cu  Cu21  1  0.34942300  0.34942300  0.96743700  1.0
  Cu  Cu22  1  0.65057700  0.65057700  0.03256300  1.0
  Cu  Cu23  1  0.87504400  0.87504400  0.87571300  1.0
  O  O24  1  0.77837300  0.31855700  0.56911300  1.0
  O  O25  1  0.31875400  0.31875400  0.56838100  1.0
  O  O26  1  0.47690800  0.92847700  0.68257400  1.0
  O  O27  1  0.93022000  0.93022000  0.68159500  1.0
  O  O28  1  0.92847700  0.47690800  0.68257400  1.0
  O  O29  1  0.81828300  0.81828300  0.56794600  1.0
  O  O30  1  0.68144300  0.22162700  0.43088700  1.0
  O  O31  1  0.18171700  0.18171700  0.43205400  1.0
  O  O32  1  0.31855700  0.77837300  0.56911300  1.0
  O  O33  1  0.43254200  0.43254200  0.68070900  1.0
  O  O34  1  0.06978000  0.06978000  0.31840500  1.0
  O  O35  1  0.52309200  0.07152300  0.31742600  1.0
  O  O36  1  0.22162700  0.68144300  0.43088700  1.0
  O  O37  1  0.68124600  0.68124600  0.43161900  1.0
  O  O38  1  0.31536500  0.31536500  0.06937900  1.0
  O  O39  1  0.56745800  0.56745800  0.31929100  1.0
  O  O40  1  0.43556900  0.97687000  0.18341100  1.0
  O  O41  1  0.07152300  0.52309200  0.31742600  1.0
  O  O42  1  0.81466000  0.27544800  0.06598400  1.0
  O  O43  1  0.93451400  0.93451400  0.17984300  1.0
  O  O44  1  0.27544800  0.81466000  0.06598400  1.0
  O  O45  1  0.81960000  0.81960000  0.06739000  1.0
  O  O46  1  0.18040000  0.18040000  0.93261000  1.0
  O  O47  1  0.43153400  0.43153400  0.18087600  1.0
  O  O48  1  0.72455200  0.18534000  0.93401600  1.0
  O  O49  1  0.97687000  0.43556900  0.18341100  1.0
  O  O50  1  0.06548600  0.06548600  0.82015700  1.0
  O  O51  1  0.18534000  0.72455200  0.93401600  1.0
  O  O52  1  0.68463500  0.68463500  0.93062100  1.0
  O  O53  1  0.56443100  0.02313000  0.81658900  1.0
  O  O54  1  0.56846600  0.56846600  0.81912400  1.0
  O  O55  1  0.02313000  0.56443100  0.81658900  1.0

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