PrCdNi4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1077088 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

PrCdNi4

MP-ID

mp-1077088

Elements

Sites

Density

9.0877

g/cm³

Volume

89.19

Å³

Cell a

5.0150

Cell b

5.0150

Cell c

5.0150

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
21.70	4.0947	5.2	(1,1,1)
21.70	4.0947	10.5	(0,1,0)
21.70	4.0947	5.2	(1,0,0)
25.11	3.5461	4.1	(1,1,0)
35.81	2.5075	72.2	(1,2,1)
35.81	2.5075	36.1	(0,1,-1)
35.81	2.5075	36.1	(2,1,1)
35.81	2.5075	36.1	(1,0,-1)
35.81	2.5075	36.1	(1,-1,0)
42.26	2.1384	33.3	(1,2,2)
42.26	2.1384	66.7	(1,2,0)
42.26	2.1384	66.7	(2,2,1)
42.26	2.1384	100.0	(0,2,1)
42.26	2.1384	33.3	(1,-1,1)
42.26	2.1384	33.3	(2,1,0)
42.26	2.1384	66.7	(2,0,1)
44.24	2.0474	20.4	(2,2,2)
44.24	2.0474	40.7	(0,2,0)
44.24	2.0474	20.4	(2,0,0)
56.56	1.6271	1.1	(2,3,2)
56.56	1.6271	1.1	(0,2,-1)
56.56	1.6271	1.1	(2,0,-1)
64.35	1.4477	6.3	(2,3,3)
64.35	1.4477	12.6	(1,3,0)

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Energy Properties

Formation Energy/atom

-0.25333

eV/atom

Energy/atom

-5.06600

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.4578

eV/atom

Volume/atom

14.86

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.8296

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.009300

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.667

Element Family

3d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

8.2998

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.548%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2858

smaller = more stable mixing

VEC

9.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.262

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.711

Family

Ni-based Alloy

Matrix Element

Ni · 0.667

Related Tasks

Related computation task IDs (5)

aaadmiyn aaadsogz aaaemdhq aaaeunmz aaafbyff

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1077088

Reference Citation

The crystal structure and related material properties of PrCdNi4 were obtained from the Materials Project database (MP-ID: mp-1077088, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_PrCdNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01499742
_cell_length_b   5.01501041
_cell_length_c   5.01501042
_cell_angle_alpha   59.99997141
_cell_angle_beta   59.99989534
_cell_angle_gamma   59.99988568
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrCdNi4
_chemical_formula_sum   'Pr1 Cd1 Ni4'
_cell_volume   89.18638939
_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  0.24999900  0.25000100  0.25000000  1.0
  Cd  Cd1  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni2  1  0.62651823  0.62651723  0.12044631  1.0
  Ni  Ni3  1  0.62651823  0.12044531  0.62651823  1.0
  Ni  Ni4  1  0.12044531  0.62651823  0.62651823  1.0
  Ni  Ni5  1  0.62651823  0.62651823  0.62651823  1.0

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