KNa7V6Cr2O24
High-Entropy Materials HEAMP-ID: mp-1099932 · Space group: Amm2 (#38)
Basic Information
Formula
KNa7V6Cr2O24
MP-ID
mp-1099932
Elements
5
Sites
40
Density
3.8118
g/cm³
Volume
432.87
ų
Cell a
7.5568
Å
Cell b
7.5568
Å
Cell c
7.5802
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.04
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.47 | 3.7901 | 31.8 | (0,0,2) |
| 23.55 | 3.7784 | 63.0 | (2,0,0) |
| 33.49 | 2.6759 | 100.0 | (2,0,2) |
| 33.53 | 2.6726 | 24.9 | (2,-2,0) |
| 33.55 | 2.6708 | 24.9 | (2,2,0) |
| 41.34 | 2.1842 | 4.0 | (2,-2,2) |
| 41.36 | 2.1832 | 4.0 | (2,2,2) |
| 48.01 | 1.8951 | 34.5 | (0,0,4) |
| 48.17 | 1.8892 | 68.2 | (4,0,0) |
| 54.14 | 1.6939 | 9.3 | (2,0,4) |
| 54.25 | 1.6908 | 9.2 | (4,0,2) |
| 54.27 | 1.6902 | 4.6 | (4,-2,0) |
| 54.31 | 1.6893 | 4.6 | (4,2,0) |
| 59.83 | 1.5459 | 8.7 | (2,-2,4) |
| 59.84 | 1.5455 | 8.7 | (2,2,4) |
| 59.92 | 1.5437 | 17.3 | (4,-2,2) |
| 59.95 | 1.5430 | 17.3 | (4,2,2) |
| 70.37 | 1.3379 | 34.9 | (4,0,4) |
| 70.47 | 1.3363 | 8.7 | (4,-4,0) |
| 70.52 | 1.3354 | 8.6 | (4,4,0) |
| 75.35 | 1.2614 | 3.0 | (4,-2,4) |
| 75.38 | 1.2610 | 3.0 | (4,2,4) |
| 75.43 | 1.2603 | 1.5 | (4,-4,2) |
| 75.48 | 1.2595 | 1.5 | (4,4,2) |
Energy Properties
Formation Energy/atom
-2.09761
eV/atom
Energy/atom
-7.17472
eV/atom
Energy above Hull
0.1942
eV/atom
Uncorrected Energy
-6.4076
eV/atom
Volume/atom
10.82
ų
c/a Ratio
1.0031
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.0044
μB
Mag. Ordering
FiM
Mag. Sites
10
Magnetization/Volume
0.004630
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
1.1381
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.4621
J/mol·K
Ω Parameter
2.2284
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
52.875%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0841
smaller = more stable mixing
VEC
3.650
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.304
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7071
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1099932
Reference Citation
The crystal structure and related material properties of KNa7V6Cr2O24 were obtained from the Materials Project database (MP-ID: mp-1099932, 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_KNa7V6Cr2O24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.55676445
_cell_length_b 7.55676445
_cell_length_c 7.58020600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.03939634
_symmetry_Int_Tables_number 1
_chemical_formula_structural KNa7V6Cr2O24
_chemical_formula_sum 'K1 Na7 V6 Cr2 O24'
_cell_volume 432.86520311
_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 0.24947100 0.75052900 0.25000000 1.0
Na Na1 1 0.24953000 0.24952800 0.25000000 1.0
Na Na2 1 0.24948000 0.24949300 0.75000000 1.0
Na Na3 1 0.24973700 0.75026300 0.75000000 1.0
Na Na4 1 0.75019900 0.24980100 0.25000000 1.0
Na Na5 1 0.75026400 0.24973600 0.75000000 1.0
Na Na6 1 0.75047200 0.75047000 0.25000000 1.0
Na Na7 1 0.75050700 0.75052000 0.75000000 1.0
V V8 1 0.99937000 0.49923700 0.99941100 1.0
V V9 1 0.99937000 0.49923700 0.50058900 1.0
V V10 1 0.50076300 0.00063000 0.99941100 1.0
V V11 1 0.50076300 0.00063000 0.50058900 1.0
V V12 1 0.50056000 0.49944000 0.99940400 1.0
V V13 1 0.50056000 0.49944000 0.50059600 1.0
Cr Cr14 1 0.99957600 0.00042400 0.99951200 1.0
Cr Cr15 1 0.99957600 0.00042400 0.50048800 1.0
O O16 1 0.25197900 0.00201400 0.99808400 1.0
O O17 1 0.25197900 0.00201400 0.50191600 1.0
O O18 1 0.25047500 0.49815000 0.99815800 1.0
O O19 1 0.25047500 0.49815000 0.50184200 1.0
O O20 1 0.74810000 0.00022700 0.99970100 1.0
O O21 1 0.74810000 0.00022700 0.50029900 1.0
O O22 1 0.74950700 0.49971600 0.99970300 1.0
O O23 1 0.74950700 0.49971600 0.50029700 1.0
O O24 1 0.99977300 0.25190000 0.99970100 1.0
O O25 1 0.99977300 0.25190000 0.50029900 1.0
O O26 1 0.99798600 0.74802100 0.99808400 1.0
O O27 1 0.99798600 0.74802100 0.50191600 1.0
O O28 1 0.50028400 0.25049300 0.99970300 1.0
O O29 1 0.50028400 0.25049300 0.50029700 1.0
O O30 1 0.50185000 0.74952500 0.99815800 1.0
O O31 1 0.50185000 0.74952500 0.50184200 1.0
O O32 1 0.99805700 0.00194300 0.25000000 1.0
O O33 1 0.99978000 0.00022000 0.75000000 1.0
O O34 1 0.99800800 0.49812100 0.25000000 1.0
O O35 1 0.99968700 0.49971500 0.75000000 1.0
O O36 1 0.50187900 0.00199200 0.25000000 1.0
O O37 1 0.50028500 0.00031300 0.75000000 1.0
O O38 1 0.50190700 0.49809300 0.25000000 1.0
O O39 1 0.50029000 0.49971000 0.75000000 1.0
