Sc7V9O24
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-864832 · Space group: P1 (#1)
Basic Information
Formula
Sc7V9O24
MP-ID
mp-864832
Elements
3
Sites
40
Density
4.1645
g/cm³
Volume
461.40
ų
Cell a
8.3827
Å
Cell b
8.4080
Å
Cell c
8.4675
Å
α Angle
109.72
°
β Angle
109.50
°
γ Angle
108.84
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 12.83 | 6.8996 | 6.1 | (0,1,-1) |
| 12.84 | 6.8960 | 22.3 | (0,1,0) |
| 12.86 | 6.8844 | 21.5 | (1,0,0) |
| 12.97 | 6.8279 | 1.5 | (1,-1,0) |
| 18.16 | 4.8848 | 1.4 | (1,1,-1) |
| 18.25 | 4.8620 | 2.6 | (1,-1,1) |
| 18.27 | 4.8564 | 1.1 | (1,-1,-1) |
| 22.28 | 3.9908 | 13.7 | (0,1,-2) |
| 22.28 | 3.9903 | 32.6 | (1,1,0) |
| 22.28 | 3.9899 | 1.5 | (1,1,-2) |
| 22.31 | 3.9855 | 17.8 | (1,0,-2) |
| 22.34 | 3.9788 | 8.1 | (0,2,-1) |
| 22.41 | 3.9668 | 5.3 | (2,0,-1) |
| 22.45 | 3.9595 | 5.5 | (1,-2,1) |
| 22.52 | 3.9483 | 5.5 | (2,-1,-1) |
| 25.83 | 3.4498 | 9.9 | (0,2,-2) |
| 25.84 | 3.4480 | 3.6 | (0,2,0) |
| 25.88 | 3.4422 | 2.6 | (2,0,0) |
| 25.90 | 3.4400 | 1.1 | (2,0,-2) |
| 28.89 | 3.0900 | 30.0 | (1,2,-2) |
| 28.90 | 3.0898 | 10.1 | (1,2,-1) |
| 28.93 | 3.0859 | 9.0 | (2,1,-1) |
| 28.94 | 3.0854 | 19.8 | (2,1,-2) |
| 29.01 | 3.0785 | 2.8 | (1,-2,2) |
Energy Properties
Formation Energy/atom
0.21379
eV/atom
Energy/atom
-5.90705
eV/atom
Energy above Hull
3.3758
eV/atom
Uncorrected Energy
-5.4280
eV/atom
Volume/atom
11.53
ų
c/a Ratio
1.0101
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
12.0038
μB
Mag. Ordering
FiM
Mag. Sites
9
Magnetization/Volume
0.026020
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
0.9471
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.8745
J/mol·K
Ω Parameter
4.3254
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
45.669%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9484
smaller = more stable mixing
VEC
4.050
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.532
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8621
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.375
Family
O-rich Multi-Component
Matrix Element
O · 0.600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-864832
Reference Citation
The crystal structure and related material properties of Sc7V9O24 were obtained from the Materials Project database (MP-ID: mp-864832, 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_Sc7V9O24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.38269800
_cell_length_b 8.40801222
_cell_length_c 8.46754319
_cell_angle_alpha 109.71716634
_cell_angle_beta 109.50327332
_cell_angle_gamma 108.83902812
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc7V9O24
_chemical_formula_sum 'Sc7 V9 O24'
_cell_volume 461.39816569
_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
Sc Sc0 1 0.03511000 0.78420100 0.75060900 1.0
Sc Sc1 1 0.28594400 0.82643700 0.46148500 1.0
Sc Sc2 1 0.96306100 0.21233500 0.25024500 1.0
Sc Sc3 1 0.46341800 0.71347500 0.25057300 1.0
Sc Sc4 1 0.32567300 0.53796700 0.71372800 1.0
Sc Sc5 1 0.67505900 0.96413900 0.78560100 1.0
Sc Sc6 1 0.79066800 0.82486400 0.96303100 1.0
V V7 1 0.48806300 0.99180600 0.00539300 1.0
V V8 1 0.21249200 0.17444600 0.03682700 1.0
V V9 1 0.68673500 0.46968900 0.28207400 1.0
V V10 1 0.31164200 0.02735100 0.21926200 1.0
V V11 1 0.53592300 0.28589100 0.75145100 1.0
V V12 1 0.99836100 0.50020400 0.00013200 1.0
V V13 1 0.00469500 0.00324000 0.49783200 1.0
V V14 1 0.71666000 0.18421400 0.53411100 1.0
V V15 1 0.50728900 0.50207800 0.49773800 1.0
O O16 1 0.57060400 0.30392800 0.95995800 1.0
O O17 1 0.17893800 0.95066500 0.54388600 1.0
O O18 1 0.99776800 0.95727000 0.27378200 1.0
O O19 1 0.80357400 0.08613800 0.96268500 1.0
O O20 1 0.21889300 0.68096100 0.77717500 1.0
O O21 1 0.02666000 0.81253300 0.45837000 1.0
O O22 1 0.54205900 0.99807700 0.23302400 1.0
O O23 1 0.70753900 0.74823900 0.26392900 1.0
O O24 1 0.49191400 0.48673900 0.77661500 1.0
O O25 1 0.80739600 0.30897500 0.72929100 1.0
O O26 1 0.73897400 0.50947400 0.01773600 1.0
O O27 1 0.56154900 0.28441600 0.48549100 1.0
O O28 1 0.24381300 0.46959900 0.98973000 1.0
O O29 1 0.44286500 0.71395600 0.51127200 1.0
O O30 1 0.17321300 0.68790400 0.27843700 1.0
O O31 1 0.52171600 0.50495800 0.22524300 1.0
O O32 1 0.46427700 0.01545600 0.75931500 1.0
O O33 1 0.31098200 0.26035200 0.73122400 1.0
O O34 1 0.97178200 0.19291600 0.53698100 1.0
O O35 1 0.78633600 0.32514700 0.22221000 1.0
O O36 1 0.01572900 0.05170600 0.71952000 1.0
O O37 1 0.18274100 0.90352900 0.04320400 1.0
O O38 1 0.82160400 0.05949600 0.45539500 1.0
O O39 1 0.41827500 0.68522400 0.04544100 1.0
