LaPr(GeRh2)2

High-Entropy Materials HEA

MP-ID: mp-3250046 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

LaPr(GeRh2)2

MP-ID

mp-3250046

Elements

Sites

Density

8.9334

g/cm³

Volume

155.53

Å³

Cell a

9.3794

Cell b

9.3794

Cell c

4.1237

α Angle

90.00

β Angle

90.00

γ Angle

154.61

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
9.67	9.1502	1.1	(1,-1,0)
19.40	4.5751	1.2	(2,-2,0)
26.09	3.4153	1.3	(2,-1,0)
29.15	3.0631	4.3	(2,-2,1)
29.28	3.0501	11.3	(3,-3,0)
31.06	2.8790	6.8	(1,0,1)
32.72	2.7368	28.0	(3,-2,0)
34.09	2.6303	100.0	(2,-1,1)
36.65	2.4522	18.6	(3,-3,1)
43.91	2.0618	24.3	(0,0,2)
43.93	2.0610	24.2	(1,1,0)
45.34	2.0004	16.1	(4,-4,1)
46.67	1.9463	10.9	(4,-3,1)
50.02	1.8236	10.7	(5,-4,0)
53.60	1.7099	1.6	(3,-1,1)
53.66	1.7082	4.1	(3,-3,2)
53.67	1.7077	2.0	(4,-2,0)
53.67	1.7077	2.0	(2,-4,0)
55.06	1.6678	4.7	(5,-4,1)
55.06	1.6678	4.7	(4,-5,1)
55.83	1.6468	12.1	(3,-2,2)
58.50	1.5777	4.7	(4,-2,1)
58.50	1.5777	4.7	(2,-4,1)
59.96	1.5428	2.6	(6,-5,0)

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Energy Properties

Formation Energy/atom

-0.92035

eV/atom

Energy/atom

-23.85005

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.8501

eV/atom

Volume/atom

19.44

Å³

c/a Ratio

0.4397

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

Rh · 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

1.3990

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.792%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4784

smaller = more stable mixing

VEC

6.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.410

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8750

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcxtu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3250046

Reference Citation

The crystal structure and related material properties of LaPr(GeRh2)2 were obtained from the Materials Project database (MP-ID: mp-3250046, 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

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Raw CIF Data

# generated using pymatgen
data_LaPr(GeRh2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37939725
_cell_length_b   9.37939707
_cell_length_c   4.12366260
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   154.61333692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPr(GeRh2)2
_chemical_formula_sum   'La1 Pr1 Ge2 Rh4'
_cell_volume   155.52909049
_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
  La  La0  1  0.90487828  0.09512172  0.25000000  1.0
  Pr  Pr1  1  0.09784767  0.90215233  0.75000000  1.0
  Ge  Ge2  1  0.32198084  0.67801916  0.75000000  1.0
  Ge  Ge3  1  0.67687499  0.32312501  0.25000000  1.0
  Rh  Rh4  1  0.54347550  0.45652450  0.25000000  1.0
  Rh  Rh5  1  0.45626019  0.54373981  0.75000000  1.0
  Rh  Rh6  1  0.24867594  0.75132406  0.25000000  1.0
  Rh  Rh7  1  0.75000658  0.24999342  0.75000000  1.0

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