PrNd(Cd2Pt)2

High-Entropy Materials HEA

MP-ID: mp-3249283 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

PrNd(Cd2Pt)2

MP-ID

mp-3249283

Elements

Sites

Density

10.1878

g/cm³

Volume

183.36

Å³

Cell a

5.4759

Cell b

5.4759

Cell c

8.5874

α Angle

90.00

β Angle

90.00

γ Angle

134.59

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

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
17.56	5.0516	24.1	(1,-1,0)
20.69	4.2937	17.2	(0,0,2)
25.08	3.5505	12.7	(1,0,1)
27.26	3.2716	1.6	(1,-1,2)
30.98	2.8866	100.0	(1,0,2)
34.04	2.6339	13.1	(2,-1,0)
35.54	2.5258	1.1	(2,-2,0)
35.65	2.5181	98.1	(2,-1,1)
36.06	2.4904	20.5	(1,-1,3)
37.10	2.4232	32.2	(2,-2,1)
39.04	2.3075	49.5	(1,0,3)
40.16	2.2452	30.2	(2,-1,2)
41.48	2.1770	27.1	(2,-2,2)
42.09	2.1469	24.7	(0,0,4)
42.79	2.1134	41.8	(1,1,0)
45.93	1.9758	2.5	(1,-1,4)
46.58	1.9497	4.0	(2,0,0)
46.87	1.9382	22.0	(2,-1,3)
47.98	1.8962	4.1	(1,1,2)
48.04	1.8939	6.1	(2,-2,3)
48.40	1.8807	4.2	(1,0,4)
50.03	1.8230	2.1	(3,-2,0)
51.23	1.7833	1.8	(3,-2,1)
56.60	1.6261	3.4	(1,-1,5)

Get direct link

Energy Properties

Formation Energy/atom

-0.71238

eV/atom

Energy/atom

-30.98955

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.9896

eV/atom

Volume/atom

22.92

Å³

c/a Ratio

1.5682

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2130

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0849

J/mol·K

Ω Parameter

0.5350

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.970%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4049

smaller = more stable mixing

VEC

9.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-21.122

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8750

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcwql

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249283

Reference Citation

The crystal structure and related material properties of PrNd(Cd2Pt)2 were obtained from the Materials Project database (MP-ID: mp-3249283, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_PrNd(Cd2Pt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47585806
_cell_length_b   5.47585804
_cell_length_c   8.58739239
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   134.59374739
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrNd(Cd2Pt)2
_chemical_formula_sum   'Pr1 Nd1 Cd4 Pt2'
_cell_volume   183.36155486
_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  0.93278719  0.06721281  0.25000000  1.0
  Nd  Nd1  1  0.06755701  0.93244299  0.75000000  1.0
  Cd  Cd2  1  0.64333393  0.35666607  0.45396976  1.0
  Cd  Cd3  1  0.35664146  0.64335854  0.54758490  1.0
  Cd  Cd4  1  0.64333393  0.35666607  0.04603024  1.0
  Cd  Cd5  1  0.35664146  0.64335854  0.95241510  1.0
  Pt  Pt6  1  0.22435354  0.77564646  0.25000000  1.0
  Pt  Pt7  1  0.77535148  0.22464852  0.75000000  1.0

Get direct link