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Pr6Cd23Sn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3297403 · Space group: Fm-3m (#225)

Basic Information

Formula
Pr6Cd23Sn
MP-ID
mp-3297403
Elements
3
Sites
30
Density
8.1409
g/cm³
Volume
724.04
ų
Cell a
10.0792
Å
Cell b
10.0792
Å
Cell c
10.0792
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
27.99 3.1873 11.7 (2,1,-1)
30.73 2.9096 5.1 (2,-1,-1)
32.64 2.7432 17.5 (3,0,0)
35.63 2.5198 100.0 (2,0,-2)
37.32 2.4094 3.2 (2,1,-2)
37.87 2.3757 8.3 (3,0,-1)
40.00 2.2538 3.8 (3,2,-1)
41.54 2.1737 3.0 (3,-1,-1)
42.05 2.1489 1.4 (4,2,0)
45.44 1.9960 1.2 (3,0,-2)
45.91 1.9767 1.2 (3,1,-2)
49.09 1.8557 4.2 (4,0,-1)
51.27 1.7818 11.5 (4,4,0)
52.97 1.7286 1.1 (1,1,-4)
52.97 1.7286 3.4 (4,3,-1)
54.63 1.6799 2.2 (5,3,0)
55.86 1.6459 2.8 (4,1,-2)
57.86 1.5937 2.1 (4,2,-2)
59.04 1.5646 1.1 (2,1,-4)
59.04 1.5646 3.2 (4,4,-1)
60.98 1.5195 1.5 (5,0,-1)
62.12 1.4942 6.2 (5,3,-1)
64.00 1.4548 5.4 (2,2,-4)
64.00 1.4548 16.1 (6,2,0)
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Energy Properties

Formation Energy/atom
-0.35077
eV/atom
Energy/atom
-22.47026
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.4703
eV/atom
Volume/atom
24.13
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
0.0001
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
Cd · 0.767
Element Family
4d-TM
Solute Fraction
0.233
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.6390
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
5.3124
J/mol·K
Ω Parameter
2.9096
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.619%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2335
smaller = more stable mixing
VEC
9.933
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.304
kJ/mol; negative = exothermic mixing
Entropy Norm
0.5816
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.621
Family
Cd-rich Multi-Component
Matrix Element
Cd · 0.767

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297403
Reference Citation

The crystal structure and related material properties of Pr6Cd23Sn were obtained from the Materials Project database (MP-ID: mp-3297403, 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_Pr6Cd23Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07917294
_cell_length_b   10.07917316
_cell_length_c   10.07917353
_cell_angle_alpha   60.00000198
_cell_angle_beta   60.00000127
_cell_angle_gamma   59.99999786
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6Cd23Sn
_chemical_formula_sum   'Pr6 Cd23 Sn1'
_cell_volume   724.03528540
_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
  Pr  Pr0  1  0.77377685  0.77377685  0.22622315  1.0
  Pr  Pr1  1  0.22622315  0.77377685  0.22622315  1.0
  Pr  Pr2  1  0.77377685  0.22622315  0.22622315  1.0
  Pr  Pr3  1  0.22622315  0.22622315  0.77377685  1.0
  Pr  Pr4  1  0.77377685  0.22622315  0.77377685  1.0
  Pr  Pr5  1  0.22622315  0.77377685  0.77377685  1.0
  Cd  Cd6  1  0.84332370  0.84332370  0.47003090  1.0
  Cd  Cd7  1  0.84332370  0.47003090  0.84332370  1.0
  Cd  Cd8  1  0.47003090  0.84332370  0.84332370  1.0
  Cd  Cd9  1  0.84332370  0.84332370  0.84332370  1.0
  Cd  Cd10  1  0.15667630  0.15667630  0.52996910  1.0
  Cd  Cd11  1  0.15667630  0.52996910  0.15667630  1.0
  Cd  Cd12  1  0.52996910  0.15667630  0.15667630  1.0
  Cd  Cd13  1  0.15667630  0.15667630  0.15667630  1.0
  Cd  Cd14  1  0.62779275  0.62779275  0.11662374  1.0
  Cd  Cd15  1  0.62779275  0.11662374  0.62779275  1.0
  Cd  Cd16  1  0.11662374  0.62779275  0.62779275  1.0
  Cd  Cd17  1  0.62779275  0.62779275  0.62779275  1.0
  Cd  Cd18  1  0.37220725  0.37220725  0.88337626  1.0
  Cd  Cd19  1  0.37220725  0.88337626  0.37220725  1.0
  Cd  Cd20  1  0.88337626  0.37220725  0.37220725  1.0
  Cd  Cd21  1  0.37220725  0.37220725  0.37220725  1.0
  Cd  Cd22  1  0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd23  1  0.50000000  0.00000000  0.50000000  1.0
  Cd  Cd24  1  0.00000000  0.50000000  0.50000000  1.0
  Cd  Cd25  1  0.50000000  0.50000000  0.00000000  1.0
  Cd  Cd26  1  0.00000000  0.50000000  0.00000000  1.0
  Cd  Cd27  1  0.50000000  0.00000000  0.00000000  1.0
  Cd  Cd28  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn29  1  0.00000000  0.00000000  0.00000000  1.0
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