KNa7V7CrO24

High-Entropy Materials HEA

MP-ID: mp-1076665 · Space group: R3m (#160)

Materials Project API

Basic Information

Formula

KNa7V7CrO24

MP-ID

mp-1076665

Elements

Sites

Density

3.7816

g/cm³

Volume

435.86

Å³

Cell a

7.5820

Cell b

7.5820

Cell c

7.5820

α Angle

89.99

β Angle

89.99

γ Angle

89.99

Space Group

R3m

Point Group

Crystal System

Trigonal

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
23.47	3.7910	90.8	(2,0,0)
33.43	2.6808	48.2	(2,0,2)
33.43	2.6808	24.1	(2,2,0)
33.43	2.6805	72.3	(2,0,-2)
41.24	2.1890	2.1	(2,2,2)
41.25	2.1886	6.2	(2,2,-2)
48.00	1.8955	100.0	(4,0,0)
54.09	1.6955	13.3	(4,2,0)
54.10	1.6953	13.3	(4,0,-2)
59.74	1.5478	12.6	(4,2,2)
59.75	1.5476	25.2	(4,2,-2)
59.76	1.5476	12.6	(4,-2,-2)
70.22	1.3404	17.0	(4,0,4)
70.22	1.3404	8.5	(4,4,0)
70.23	1.3402	25.4	(4,0,-4)
75.18	1.2638	1.4	(4,2,4)
75.19	1.2637	2.1	(0,0,6)
75.19	1.2637	2.2	(6,0,0)
75.19	1.2636	1.4	(4,-4,2)
75.19	1.2636	2.9	(4,2,-4)
80.04	1.1989	6.7	(6,0,2)
80.04	1.1989	3.4	(6,2,0)
80.05	1.1988	10.1	(6,0,-2)
89.56	1.0945	4.0	(4,4,4)

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Energy Properties

Formation Energy/atom

-2.16260

eV/atom

Energy/atom

-7.22547

eV/atom

Energy above Hull

0.1749

eV/atom

Uncorrected Energy

-6.4658

eV/atom

Volume/atom

10.90

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.9998

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.002290

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1010

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1535

J/mol·K

Ω Parameter

2.0633

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.881%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0848

smaller = more stable mixing

VEC

3.625

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.408

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6841

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (3)

aaacjgtr aaadrppi aaadzjop

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076665

Reference Citation

The crystal structure and related material properties of KNa7V7CrO24 were obtained from the Materials Project database (MP-ID: mp-1076665, 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_KNa7V7CrO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58195672
_cell_length_b   7.58195672
_cell_length_c   7.58195712
_cell_angle_alpha   89.99270565
_cell_angle_beta   89.99270565
_cell_angle_gamma   89.99271146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa7V7CrO24
_chemical_formula_sum   'K1 Na7 V7 Cr1 O24'
_cell_volume   435.85688982
_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
  K  K0  1  0.24951900  0.24951900  0.24951900  1.0
  Na  Na1  1  0.24948600  0.24948600  0.75051800  1.0
  Na  Na2  1  0.75052300  0.24945700  0.75052300  1.0
  Na  Na3  1  0.75051800  0.24948600  0.24948600  1.0
  Na  Na4  1  0.24945700  0.75052300  0.75052300  1.0
  Na  Na5  1  0.75050800  0.75050800  0.75050800  1.0
  Na  Na6  1  0.24948600  0.75051800  0.24948600  1.0
  Na  Na7  1  0.75052300  0.75052300  0.24945700  1.0
  V  V8  1  0.50068200  0.99933200  0.99933200  1.0
  V  V9  1  0.99933200  0.99933200  0.50068200  1.0
  V  V10  1  0.50072900  0.99930200  0.50072900  1.0
  V  V11  1  0.99933200  0.50068200  0.99933200  1.0
  V  V12  1  0.50072900  0.50072900  0.99930200  1.0
  V  V13  1  0.99930200  0.50072900  0.50072900  1.0
  V  V14  1  0.50070200  0.50070200  0.50070200  1.0
  Cr  Cr15  1  0.99927500  0.99927500  0.99927500  1.0
  O  O16  1  0.99774800  0.25449100  0.99774800  1.0
  O  O17  1  0.50214100  0.25147200  0.99784800  1.0
  O  O18  1  0.99784800  0.25147200  0.50214100  1.0
  O  O19  1  0.50223200  0.25065500  0.50223200  1.0
  O  O20  1  0.99939700  0.74570700  0.99939700  1.0
  O  O21  1  0.50060200  0.74851200  0.99933100  1.0
  O  O22  1  0.99933100  0.74851200  0.50060200  1.0
  O  O23  1  0.50056100  0.74935500  0.50056100  1.0
  O  O24  1  0.99939700  0.99939700  0.74570700  1.0
  O  O25  1  0.50060200  0.99933100  0.74851200  1.0
  O  O26  1  0.99774800  0.99774800  0.25449100  1.0
  O  O27  1  0.50214100  0.99784800  0.25147200  1.0
  O  O28  1  0.99933100  0.50060200  0.74851200  1.0
  O  O29  1  0.50056100  0.50056100  0.74935500  1.0
  O  O30  1  0.99784800  0.50214100  0.25147200  1.0
  O  O31  1  0.50223200  0.50223200  0.25065500  1.0
  O  O32  1  0.25449100  0.99774800  0.99774800  1.0
  O  O33  1  0.74570700  0.99939700  0.99939700  1.0
  O  O34  1  0.25147200  0.99784800  0.50214100  1.0
  O  O35  1  0.74851200  0.99933100  0.50060200  1.0
  O  O36  1  0.25147200  0.50214100  0.99784800  1.0
  O  O37  1  0.74851200  0.50060200  0.99933100  1.0
  O  O38  1  0.25065500  0.50223200  0.50223200  1.0
  O  O39  1  0.74935500  0.50056100  0.50056100  1.0

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