Li7Mn10Cr6O32

High-Entropy Materials HEA

MP-ID: mp-769505 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Li7Mn10Cr6O32

MP-ID

mp-769505

Elements

Sites

Density

4.0690

g/cm³

Volume

580.28

Å³

Cell a

5.8774

Cell b

5.9073

Cell c

19.5165

α Angle

81.74

β Angle

81.44

γ Angle

60.33

Space Group

Point Group

Crystal System

Triclinic

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
18.30	4.8469	100.0	(0,1,-1)
18.44	4.8106	84.8	(1,0,-1)
18.45	4.8087	84.6	(0,0,4)
18.50	4.7961	79.6	(1,1,2)
35.52	2.5275	12.4	(1,-1,4)
35.56	2.5246	12.4	(1,2,-3)
35.58	2.5236	12.3	(0,2,2)
35.69	2.5159	12.8	(1,1,-6)
35.70	2.5153	13.0	(2,0,2)
35.70	2.5151	12.8	(1,-1,-4)
35.71	2.5145	12.9	(1,0,7)
35.77	2.5104	13.0	(2,2,0)
35.79	2.5092	13.0	(2,1,-3)
35.79	2.5088	12.9	(1,2,5)
35.81	2.5074	12.9	(0,1,7)
35.84	2.5058	13.2	(2,1,5)
37.10	2.4235	8.5	(0,2,-2)
37.39	2.4053	8.3	(2,0,-2)
37.40	2.4044	8.2	(0,0,8)
37.50	2.3981	8.1	(2,2,4)
43.37	2.0862	63.3	(2,0,6)
43.39	2.0854	63.1	(2,2,-4)
43.42	2.0839	62.9	(0,2,6)
47.23	1.9245	3.1	(0,2,-6)

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Energy Properties

Formation Energy/atom

-2.15263

eV/atom

Energy/atom

-7.99328

eV/atom

Energy above Hull

0.0106

eV/atom

Uncorrected Energy

-7.0722

eV/atom

Volume/atom

10.55

Å³

c/a Ratio

3.3206

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

48.9997

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.084440

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.582

Element Family

Metalloid-Nonmetal

Solute Fraction

0.418

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1291

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3876

J/mol·K

Ω Parameter

1.4618

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

41.235%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0204

smaller = more stable mixing

VEC

4.382

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.876

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8145

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaaegexy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-769505

Reference Citation

The crystal structure and related material properties of Li7Mn10Cr6O32 were obtained from the Materials Project database (MP-ID: mp-769505, 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_Li7Mn10Cr6O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87735100
_cell_length_b   5.90732168
_cell_length_c   19.51645689
_cell_angle_alpha   81.74164967
_cell_angle_beta   81.43987089
_cell_angle_gamma   60.33122341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7Mn10Cr6O32
_chemical_formula_sum   'Li7 Mn10 Cr6 O32'
_cell_volume   580.27549371
_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
  Li  Li0  1  0.90335500  0.41323800  0.78120700  1.0
  Li  Li1  1  0.58980800  0.08955300  0.71969700  1.0
  Li  Li2  1  0.34700700  0.83617000  0.47035000  1.0
  Li  Li3  1  0.65990500  0.16017300  0.53080600  1.0
  Li  Li4  1  0.40016400  0.91421800  0.28150500  1.0
  Li  Li5  1  0.09879600  0.58550200  0.21741800  1.0
  Li  Li6  1  0.15231100  0.66530300  0.02974900  1.0
  Mn  Mn7  1  0.12472900  0.62491200  0.62532100  1.0
  Mn  Mn8  1  0.37519900  0.87682800  0.87554800  1.0
  Mn  Mn9  1  0.50079400  0.00045200  0.99861500  1.0
  Mn  Mn10  1  0.24746300  0.75187500  0.75001800  1.0
  Mn  Mn11  1  0.87241800  0.87674700  0.87579800  1.0
  Mn  Mn12  1  0.00308200  0.49752000  0.50073600  1.0
  Mn  Mn13  1  0.37689200  0.37335700  0.37525000  1.0
  Mn  Mn14  1  0.12300800  0.12658300  0.12395700  1.0
  Mn  Mn15  1  0.87488200  0.37295100  0.37544700  1.0
  Mn  Mn16  1  0.62663600  0.12649800  0.12389200  1.0
  Cr  Cr17  1  0.37491700  0.37443900  0.87553000  1.0
  Cr  Cr18  1  0.62492600  0.62484900  0.62531600  1.0
  Cr  Cr19  1  0.12483900  0.12491600  0.62537600  1.0
  Cr  Cr20  1  0.87499500  0.87415500  0.37582300  1.0
  Cr  Cr21  1  0.74940000  0.25017300  0.24987500  1.0
  Cr  Cr22  1  0.62652400  0.62356300  0.12348800  1.0
  O  O23  1  0.23214900  0.15909900  0.93445800  1.0
  O  O24  1  0.67448900  0.15989900  0.93451700  1.0
  O  O25  1  0.18745700  0.69974700  0.92707300  1.0
  O  O26  1  0.07276900  0.58815600  0.81553300  1.0
  O  O27  1  0.52194900  0.58792000  0.81477500  1.0
  O  O28  1  0.07740800  0.02777000  0.81647000  1.0
  O  O29  1  0.66805800  0.72888800  0.93351100  1.0
  O  O30  1  0.41291200  0.47369900  0.68555800  1.0
  O  O31  1  0.17774400  0.66131100  0.43540700  1.0
  O  O32  1  0.41687500  0.91840400  0.68756200  1.0
  O  O33  1  0.56260000  0.05161900  0.82249600  1.0
  O  O34  1  0.30412800  0.80370300  0.57271700  1.0
  O  O35  1  0.94541700  0.44621300  0.67807800  1.0
  O  O36  1  0.83668000  0.77622800  0.56501600  1.0
  O  O37  1  0.02649200  0.08478700  0.31760100  1.0
  O  O38  1  0.27825000  0.33507500  0.56547800  1.0
  O  O39  1  0.97150900  0.91485900  0.68523100  1.0
  O  O40  1  0.72844200  0.66080700  0.43637100  1.0
  O  O41  1  0.17330700  0.22225200  0.43507600  1.0
  O  O42  1  0.06290600  0.55088200  0.32290000  1.0
  O  O43  1  0.56971300  0.08433000  0.31774200  1.0
  O  O44  1  0.68693000  0.19741000  0.42838300  1.0
  O  O45  1  0.43739100  0.94889200  0.17637500  1.0
  O  O46  1  0.83318900  0.33138800  0.56309800  1.0
  O  O47  1  0.33021200  0.27582500  0.06469200  1.0
  O  O48  1  0.57525400  0.53070700  0.31760400  1.0
  O  O49  1  0.47278400  0.41437200  0.18207200  1.0
  O  O50  1  0.92375000  0.97009200  0.18157900  1.0
  O  O51  1  0.81461900  0.29777300  0.07320500  1.0
  O  O52  1  0.93006300  0.41448700  0.18230300  1.0
  O  O53  1  0.32517800  0.83781300  0.06379700  1.0
  O  O54  1  0.77357700  0.83787000  0.06385200  1.0

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