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V2Cd(PO7)2

High-Entropy Materials HEA

MP-ID: mp-1105353 · Space group: P1 (#1)

Basic Information

Formula
V2Cd(PO7)2
MP-ID
mp-1105353
Elements
4
Sites
19
Density
2.9794
g/cm³
Volume
278.80
ų
Cell a
6.3486
Å
Cell b
6.3013
Å
Cell c
7.0713
Å
α Angle
80.42
°
β Angle
88.26
°
γ Angle
90.01
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
No
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
12.70 6.9693 66.5 (0,0,1)
13.96 6.3456 78.5 (1,0,0)
14.25 6.2133 72.0 (0,1,0)
17.47 5.0768 75.6 (0,1,1)
18.62 4.7656 9.9 (1,0,1)
19.20 4.6218 100.0 (1,0,-1)
19.95 4.4515 9.2 (1,-1,0)
20.05 4.4276 72.7 (1,1,0)
22.23 3.9995 23.1 (1,1,1)
22.63 3.9298 20.3 (1,-1,-1)
24.76 3.5955 9.9 (1,-1,1)
25.30 3.5205 32.8 (1,1,-1)
25.56 3.4847 73.2 (0,0,2)
27.18 3.2814 3.1 (0,1,2)
28.12 3.1728 23.4 (2,0,0)
28.74 3.1066 14.5 (0,2,0)
28.85 3.0949 31.3 (1,0,2)
29.47 3.0315 85.9 (0,2,1)
30.34 2.9463 7.3 (1,1,2)
30.60 2.9217 49.5 (2,0,1)
31.01 2.8842 15.0 (1,-1,-2)
31.33 2.8547 39.3 (2,0,-1)
31.46 2.8439 18.6 (0,1,-2)
31.59 2.8319 10.4 (2,-1,0)
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Energy Properties

Formation Energy/atom
-1.52486
eV/atom
Energy/atom
-6.74750
eV/atom
Energy above Hull
0.5001
eV/atom
Uncorrected Energy
-6.4499
eV/atom
Volume/atom
14.67
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.737
Element Family
Metalloid-Nonmetal
Solute Fraction
0.263
Interstitial Fraction
0.105

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8539
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.0997
J/mol·K
Ω Parameter
1.9493
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
39.743%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.7064
smaller = more stable mixing
VEC
4.632
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.220
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6160
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1105353
Reference Citation

The crystal structure and related material properties of V2Cd(PO7)2 were obtained from the Materials Project database (MP-ID: mp-1105353, 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_V2Cd(PO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34858950
_cell_length_b   6.30129480
_cell_length_c   7.07128217
_cell_angle_alpha   80.41731525
_cell_angle_beta   88.26406299
_cell_angle_gamma   90.01471205
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Cd(PO7)2
_chemical_formula_sum   'V2 Cd1 P2 O14'
_cell_volume   278.80266384
_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  0.00989800  0.10486400  0.61822100  1.0
  V  V1  1  0.51970700  0.64811900  0.43152300  1.0
  Cd  Cd2  1  0.26671900  0.91238400  0.05101400  1.0
  P  P3  1  0.01502600  0.62771600  0.52814800  1.0
  P  P4  1  0.50947100  0.12283400  0.52350400  1.0
  O  O5  1  0.04507700  0.14547100  0.38698700  1.0
  O  O6  1  0.02593600  0.79193400  0.66832200  1.0
  O  O7  1  0.20623600  0.65334600  0.38360000  1.0
  O  O8  1  0.32087300  0.09547400  0.66976600  1.0
  O  O9  1  0.49243600  0.96674800  0.37525300  1.0
  O  O10  1  0.49499200  0.62826500  0.66050600  1.0
  O  O11  1  0.51660100  0.35278300  0.40670300  1.0
  O  O12  1  0.71082200  0.07869500  0.64174200  1.0
  O  O13  1  0.81685900  0.66683400  0.40242700  1.0
  O  O14  1  0.00655000  0.40101000  0.65401600  1.0
  O  O15  1  0.00524500  0.06612100  0.92460400  1.0
  O  O16  1  0.43929500  0.49760900  0.03970000  1.0
  O  O17  1  0.52541500  0.70837700  0.11698500  1.0
  O  O18  1  0.58388200  0.37342600  0.00911000  1.0
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