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KNa7V7MoO24

High-Entropy Materials HEA

MP-ID: mp-1076222 · Space group: R3m (#160)

Materials Project API

Basic Information

Formula
KNa7V7MoO24
MP-ID
mp-1076222
Elements
5
Sites
40
Density
3.9034
g/cm³
Volume
440.96
ų
Cell a
7.6114
Å
Cell b
7.6114
Å
Cell c
7.6114
Å
α Angle
89.98
°
β Angle
89.98
°
γ Angle
89.98
°
Space Group
R3m
Point Group
3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.63 7.6114 5.3 (1,0,0)
16.47 5.3830 1.3 (1,1,0)
16.47 5.3812 5.8 (1,0,-1)
20.21 4.3940 2.2 (1,1,-1)
23.37 3.8057 100.0 (2,0,0)
26.18 3.4044 3.4 (2,1,0)
26.18 3.4035 3.2 (2,0,-1)
28.72 3.1082 1.7 (2,1,1)
28.73 3.1069 1.7 (2,-1,-1)
33.29 2.6915 74.3 (2,2,0)
33.30 2.6906 74.3 (2,0,-2)
35.38 2.5371 1.8 (2,2,-1)
37.36 2.4072 1.6 (3,1,0)
41.07 2.1979 1.0 (2,2,2)
41.08 2.1970 2.1 (2,-2,2)
41.08 2.1970 1.0 (2,2,-2)
47.80 1.9029 95.1 (4,0,0)
49.37 1.8459 1.2 (3,2,-2)
53.86 1.7022 15.6 (4,2,0)
53.87 1.7018 15.6 (4,0,-2)
59.48 1.5541 13.1 (4,2,2)
59.50 1.5536 26.2 (4,2,-2)
59.51 1.5534 13.1 (4,-2,-2)
69.90 1.3457 24.5 (4,4,0)
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Energy Properties

Formation Energy/atom
-2.21491
eV/atom
Energy/atom
-7.30759
eV/atom
Energy above Hull
0.1396
eV/atom
Uncorrected Energy
-6.5178
eV/atom
Volume/atom
11.02
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0846
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000190
μB/ų

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
1.9664
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
52.904%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0770
smaller = more stable mixing
VEC
3.625
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.610
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6841
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (3)
aaacjgca aaadrprb aaadzkax

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1076222
Reference Citation

The crystal structure and related material properties of KNa7V7MoO24 were obtained from the Materials Project database (MP-ID: mp-1076222, 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

BibTeX 
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_KNa7V7MoO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61141982
_cell_length_b   7.61141982
_cell_length_c   7.61141978
_cell_angle_alpha   89.98169721
_cell_angle_beta   89.98169721
_cell_angle_gamma   89.98170014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa7V7MoO24
_chemical_formula_sum   'K1 Na7 V7 Mo1 O24'
_cell_volume   440.95773121
_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  0.25359500  0.25359500  0.25359500  1.0
  Na  Na1  1  0.25542400  0.25542400  0.74474600  1.0
  Na  Na2  1  0.74470700  0.25537600  0.74470700  1.0
  Na  Na3  1  0.74474600  0.25542400  0.25542400  1.0
  Na  Na4  1  0.25537600  0.74470700  0.74470700  1.0
  Na  Na5  1  0.74476400  0.74476400  0.74476400  1.0
  Na  Na6  1  0.25542400  0.74474600  0.25542300  1.0
  Na  Na7  1  0.74470700  0.74470700  0.25537600  1.0
  V  V8  1  0.50067900  0.99944800  0.99944800  1.0
  V  V9  1  0.99944800  0.99944800  0.50067900  1.0
  V  V10  1  0.50171100  0.99944000  0.50171100  1.0
  V  V11  1  0.99944800  0.50067900  0.99944800  1.0
  V  V12  1  0.50171100  0.50171100  0.99944000  1.0
  V  V13  1  0.99944000  0.50171100  0.50171100  1.0
  V  V14  1  0.50178300  0.50178300  0.50178300  1.0
  Mo  Mo15  1  0.99923000  0.99923000  0.99923000  1.0
  O  O16  1  0.99705900  0.25182800  0.99705900  1.0
  O  O17  1  0.50314800  0.24904800  0.99663600  1.0
  O  O18  1  0.99663600  0.24904800  0.50314800  1.0
  O  O19  1  0.50351800  0.24970600  0.50351800  1.0
  O  O20  1  0.99859600  0.74766200  0.99859600  1.0
  O  O21  1  0.50114500  0.75044700  0.99848000  1.0
  O  O22  1  0.99848000  0.75044700  0.50114500  1.0
  O  O23  1  0.50130100  0.74985400  0.50130100  1.0
  O  O24  1  0.99859600  0.99859600  0.74766200  1.0
  O  O25  1  0.50114500  0.99848000  0.75044700  1.0
  O  O26  1  0.99705900  0.99705900  0.25182800  1.0
  O  O27  1  0.50314800  0.99663600  0.24904800  1.0
  O  O28  1  0.99848000  0.50114500  0.75044700  1.0
  O  O29  1  0.50130100  0.50130100  0.74985400  1.0
  O  O30  1  0.99663600  0.50314800  0.24904800  1.0
  O  O31  1  0.50351800  0.50351800  0.24970600  1.0
  O  O32  1  0.25182800  0.99705900  0.99705900  1.0
  O  O33  1  0.74766200  0.99859600  0.99859600  1.0
  O  O34  1  0.24904800  0.99663600  0.50314800  1.0
  O  O35  1  0.75044700  0.99848000  0.50114500  1.0
  O  O36  1  0.24904800  0.50314800  0.99663600  1.0
  O  O37  1  0.75044700  0.50114500  0.99848000  1.0
  O  O38  1  0.24970600  0.50351800  0.50351800  1.0
  O  O39  1  0.74985400  0.50130100  0.50130100  1.0
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