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V11CrP7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3314242 · Space group: Pm (#6)

Basic Information

Formula
V11CrP7
MP-ID
mp-3314242
Elements
3
Sites
19
Density
5.7956
g/cm³
Volume
237.57
ų
Cell a
9.2216
Å
Cell b
9.2502
Å
Cell c
3.2148
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.96
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic P
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.04 8.0138 1.7 (0,1,0)
11.06 7.9971 1.2 (1,-1,0)
19.19 4.6251 3.2 (1,-2,0)
19.21 4.6205 3.3 (1,1,0)
19.25 4.6108 3.4 (2,-1,0)
29.95 2.9837 5.3 (0,1,1)
29.96 2.9828 4.5 (1,-1,1)
29.96 2.9824 3.6 (1,0,1)
33.55 2.6713 5.3 (0,3,0)
33.62 2.6657 3.7 (3,-3,0)
33.66 2.6630 4.7 (3,0,0)
33.96 2.6397 1.2 (1,-2,1)
34.00 2.6371 1.2 (2,-1,1)
35.81 2.5075 1.1 (0,2,1)
35.84 2.5054 1.7 (2,-2,1)
35.86 2.5045 2.2 (2,0,1)
38.95 2.3126 21.1 (2,-4,0)
38.99 2.3102 20.9 (2,2,0)
39.07 2.3054 18.4 (4,-2,0)
40.59 2.2228 1.3 (1,-4,0)
40.61 2.2216 26.3 (1,3,0)
40.64 2.2199 27.7 (3,-4,0)
40.69 2.2174 1.6 (3,1,0)
40.71 2.2162 1.2 (4,-3,0)
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Energy Properties

Formation Energy/atom
-0.84894
eV/atom
Energy/atom
-13.11595
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.1160
eV/atom
Volume/atom
12.50
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.1799
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.000760
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
V · 0.579
Element Family
3d-TM
Solute Fraction
0.421
Interstitial Fraction
0.368

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8393
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.9777
J/mol·K
Ω Parameter
0.7746
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.141%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2690
smaller = more stable mixing
VEC
5.053
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-13.471
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7639
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.769
Family
Interstitial Alloy
Matrix Element
V · 0.579

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3314242
Reference Citation

The crystal structure and related material properties of V11CrP7 were obtained from the Materials Project database (MP-ID: mp-3314242, 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_V11CrP7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22163295
_cell_length_b   9.25022257
_cell_length_c   3.21477402
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.96422916
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V11CrP7
_chemical_formula_sum   'V11 Cr1 P7'
_cell_volume   237.57324247
_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
  V  V0  1  0.20275547  0.98998883  0.00000000  1.0
  V  V1  1  0.13057745  0.61730384  0.00000000  1.0
  V  V2  1  0.00433384  0.20713959  0.00000000  1.0
  V  V3  1  0.48835782  0.86774920  0.00000000  1.0
  V  V4  1  0.37965084  0.51350778  0.00000000  1.0
  V  V5  1  0.80342237  0.80736587  0.00000000  1.0
  V  V6  1  0.62223473  0.49390833  0.50000000  1.0
  V  V7  1  0.49989890  0.13089122  0.50000000  1.0
  V  V8  1  0.98626515  0.73472857  0.50000000  1.0
  V  V9  1  0.87048241  0.37282364  0.50000000  1.0
  V  V10  1  0.74993279  0.01509850  0.50000000  1.0
  Cr  Cr11  1  0.26384147  0.25133892  0.50000000  1.0
  P  P12  1  0.28302578  0.83790432  0.50000000  1.0
  P  P13  1  0.16005256  0.44042845  0.50000000  1.0
  P  P14  1  0.56007958  0.71742633  0.50000000  1.0
  P  P15  1  0.45446454  0.28971900  0.00000000  1.0
  P  P16  1  0.00677106  0.00517470  0.50000000  1.0
  P  P17  1  0.82736626  0.53683616  0.00000000  1.0
  P  P18  1  0.70648501  0.17066974  0.00000000  1.0
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