Pr4MgCd3Rh4

High-Entropy Materials HEA

MP-ID: mp-3293975 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Pr4MgCd3Rh4

MP-ID

mp-3293975

Elements

Sites

Density

8.2927

g/cm³

Volume

267.68

Å³

Cell a

4.1852

Cell b

7.2976

Cell c

8.7646

α Angle

89.71

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
10.09	8.7645	7.7	(0,0,1)
12.13	7.2975	6.1	(0,1,0)
15.76	5.6223	2.7	(0,1,1)
20.26	4.3823	4.4	(0,0,2)
21.23	4.1852	1.8	(1,0,0)
23.56	3.7767	3.8	(1,0,1)
23.63	3.7654	2.4	(0,1,2)
23.74	3.7484	4.8	(0,1,-2)
24.40	3.6487	1.5	(0,2,0)
24.52	3.6305	2.4	(1,1,0)
26.41	3.3747	2.5	(0,2,1)
26.51	3.3624	2.3	(0,2,-1)
26.55	3.3572	3.7	(1,1,1)
26.60	3.3511	3.1	(1,1,-1)
29.51	3.0266	1.8	(1,0,2)
30.60	2.9215	1.2	(0,0,3)
31.83	2.8111	4.9	(0,2,2)
31.97	2.7992	42.6	(1,1,2)
32.00	2.7970	11.3	(0,2,-2)
32.05	2.7922	69.9	(1,1,-2)
32.56	2.7503	70.2	(1,2,0)
32.97	2.7171	41.5	(0,1,3)
33.09	2.7074	23.8	(0,1,-3)
34.13	2.6270	100.0	(1,2,1)

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Energy Properties

Formation Energy/atom

-0.60378

eV/atom

Energy/atom

-23.82419

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.8242

eV/atom

Volume/atom

22.31

Å³

c/a Ratio

2.0942

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0012

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

Pr · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2861

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6923

J/mol·K

Ω Parameter

2.6915

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.434%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4818

smaller = more stable mixing

VEC

7.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.458

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfktj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293975

Reference Citation

The crystal structure and related material properties of Pr4MgCd3Rh4 were obtained from the Materials Project database (MP-ID: mp-3293975, 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_Pr4MgCd3Rh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18517655
_cell_length_b   7.29755436
_cell_length_c   8.76462098
_cell_angle_alpha   89.70548553
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr4MgCd3Rh4
_chemical_formula_sum   'Pr4 Mg1 Cd3 Rh4'
_cell_volume   267.68160290
_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  0.25000000  0.03869398  0.31790344  1.0
  Pr  Pr1  1  0.75000000  0.95628146  0.67903684  1.0
  Pr  Pr2  1  0.25000000  0.54307287  0.17891387  1.0
  Pr  Pr3  1  0.75000000  0.46069639  0.82186809  1.0
  Mg  Mg4  1  0.75000000  0.36981423  0.44474513  1.0
  Cd  Cd5  1  0.25000000  0.13502711  0.94120918  1.0
  Cd  Cd6  1  0.75000000  0.86892886  0.05871488  1.0
  Cd  Cd7  1  0.25000000  0.62981851  0.55892296  1.0
  Rh  Rh8  1  0.75000000  0.25768604  0.13841868  1.0
  Rh  Rh9  1  0.25000000  0.74615579  0.86794805  1.0
  Rh  Rh10  1  0.75000000  0.74965517  0.36887358  1.0
  Rh  Rh11  1  0.25000000  0.24417060  0.62344530  1.0

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