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V3CrO10

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-755604 · Space group: P-4m2 (#115)

Basic Information

Formula
V3CrO10
MP-ID
mp-755604
Elements
3
Sites
28
Density
3.0596
g/cm³
Volume
395.99
ų
Cell a
8.0154
Å
Cell b
8.0111
Å
Cell c
8.0109
Å
α Angle
110.44
°
β Angle
71.02
°
γ Angle
71.02
°
Space Group
P-4m2
Point Group
-42m
Crystal System
Tetragonal
Bravais Lattice
Tetragonal P
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.42 4.5698 100.0 (1,1,1)
23.70 3.7544 10.2 (2,1,1)
23.70 3.7542 10.2 (0,1,1)
23.71 3.7534 10.3 (1,2,0)
23.71 3.7533 10.3 (1,0,2)
27.08 3.2924 56.8 (2,0,0)
27.10 3.2899 56.7 (0,2,-2)
27.35 3.2609 1.0 (2,2,0)
27.35 3.2609 1.0 (2,0,2)
27.35 3.2608 1.0 (0,2,0)
27.35 3.2607 1.0 (0,0,2)
33.55 2.6714 17.5 (3,1,1)
33.55 2.6712 17.5 (1,-1,-1)
33.56 2.6700 17.5 (1,3,-1)
33.57 2.6699 17.5 (1,-1,3)
38.69 2.3272 4.8 (2,-2,2)
38.69 2.3272 4.8 (2,2,-2)
41.85 2.1587 3.6 (3,2,2)
41.85 2.1586 3.6 (1,2,2)
41.85 2.1585 3.7 (2,3,1)
41.85 2.1584 3.7 (2,1,3)
43.65 2.0738 5.8 (3,3,-1)
43.65 2.0738 5.8 (3,-1,3)
43.65 2.0738 5.7 (1,-3,1)
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Energy Properties

Formation Energy/atom
-2.09344
eV/atom
Energy/atom
-8.26375
eV/atom
Energy above Hull
0.0814
eV/atom
Uncorrected Energy
-7.2660
eV/atom
Volume/atom
14.14
ų
c/a Ratio
0.9994

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
2.0009
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.005050
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.714
Element Family
Metalloid-Nonmetal
Solute Fraction
0.286
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7589
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.3098
J/mol·K
Ω Parameter
34.1460
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
40.614%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.8143
smaller = more stable mixing
VEC
4.357
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.122
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6908
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.614
Family
O-rich Multi-Component
Matrix Element
O · 0.714

Related Tasks

Related computation task IDs (3)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-755604
Reference Citation

The crystal structure and related material properties of V3CrO10 were obtained from the Materials Project database (MP-ID: mp-755604, 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_V3CrO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01537910
_cell_length_b   8.01111721
_cell_length_c   8.01088471
_cell_angle_alpha   110.43880571
_cell_angle_beta   71.01991918
_cell_angle_gamma   71.01925530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3CrO10
_chemical_formula_sum   'V6 Cr2 O20'
_cell_volume   395.98641528
_cell_formula_units_Z   2
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
  V  V0  1  0.25050600  0.55903300  0.80815600  1.0
  V  V1  1  0.74917300  0.44179300  0.19122500  1.0
  V  V2  1  0.75096100  0.94021000  0.69077900  1.0
  V  V3  1  0.25000800  0.74984300  0.49990800  1.0
  V  V4  1  0.24999800  0.24996500  0.99989700  1.0
  V  V5  1  0.24948400  0.05865300  0.30966400  1.0
  Cr  Cr6  1  0.74986800  0.75102000  0.00063800  1.0
  Cr  Cr7  1  0.75007900  0.24961400  0.49975200  1.0
  O  O8  1  0.24986900  0.88143200  0.13349700  1.0
  O  O9  1  0.25021000  0.38317600  0.63120900  1.0
  O  O10  1  0.74802600  0.61871900  0.36859500  1.0
  O  O11  1  0.75204200  0.11647200  0.86672400  1.0
  O  O12  1  0.75169500  0.75050600  0.78408000  1.0
  O  O13  1  0.74808400  0.25225800  0.28605800  1.0
  O  O14  1  0.53364100  0.96417500  0.21612200  1.0
  O  O15  1  0.53362300  0.46573300  0.71395800  1.0
  O  O16  1  0.96636100  0.74962600  0.99759900  1.0
  O  O17  1  0.96638900  0.24755500  0.49953400  1.0
  O  O18  1  0.74793500  0.53645100  0.00253800  1.0
  O  O19  1  0.75204800  0.03388900  0.50020700  1.0
  O  O20  1  0.25033300  0.96716800  0.49930900  1.0
  O  O21  1  0.24968800  0.46716200  0.99801000  1.0
  O  O22  1  0.03207200  0.75062600  0.50042100  1.0
  O  O23  1  0.03086400  0.25208300  0.00222200  1.0
  O  O24  1  0.46793300  0.53242900  0.28273300  1.0
  O  O25  1  0.46902800  0.03332800  0.78290000  1.0
  O  O26  1  0.24981300  0.74945100  0.71751000  1.0
  O  O27  1  0.25027200  0.24762900  0.21675500  1.0
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