La(Ge2Rh3)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1095552 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

La(Ge2Rh3)2

MP-ID

mp-1095552

Elements

Sites

Density

10.0231

g/cm³

Volume

173.44

Å³

Cell a

7.1778

Cell b

7.1778

Cell c

3.8872

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

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
14.25	6.2161	6.5	(1,0,-1,0)
27.05	3.2959	4.3	(1,0,-1,1)
28.72	3.1081	2.2	(2,-2,0,0)
28.72	3.1081	4.4	(2,0,-2,0)
34.00	2.6369	32.9	(2,-1,-1,1)
37.03	2.4275	50.0	(2,-2,0,1)
37.03	2.4275	100.0	(2,0,-2,1)
38.31	2.3495	16.9	(3,-2,-1,0)
38.31	2.3495	33.9	(3,-1,-2,0)
43.69	2.0721	4.7	(3,-3,0,0)
43.69	2.0721	9.4	(3,0,-3,0)
45.09	2.0107	19.1	(3,-2,-1,1)
45.09	2.0107	38.3	(3,-1,-2,1)
46.74	1.9436	39.4	(0,0,0,2)
49.87	1.8285	6.9	(3,-3,0,1)
49.87	1.8285	13.8	(3,0,-3,1)
50.89	1.7945	23.7	(4,-2,-2,0)
50.89	1.7945	11.9	(2,2,-4,0)
55.78	1.6479	2.0	(2,0,-2,2)
58.57	1.5760	4.2	(4,-3,-1,1)
58.57	1.5760	4.2	(4,-1,-3,1)
58.57	1.5760	4.2	(3,1,-4,1)
59.48	1.5540	1.7	(4,0,-4,0)
61.96	1.4976	16.2	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

-0.75238

eV/atom

Energy/atom

-6.89911

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.7060

eV/atom

Volume/atom

15.77

Å³

c/a Ratio

0.5416

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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 · 0.545

Element Family

4d-TM

Solute Fraction

0.455

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9165

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6195

J/mol·K

Ω Parameter

1.3069

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.973%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3330

smaller = more stable mixing

VEC

6.636

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.315

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8342

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.566

Family

Rh-rich Multi-Component

Matrix Element

Rh · 0.545

Related Tasks

Related computation task IDs (5)

aaadnacy aaadsrwc aaaelyaw aaaeubgh aaafivxh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1095552

Reference Citation

The crystal structure and related material properties of La(Ge2Rh3)2 were obtained from the Materials Project database (MP-ID: mp-1095552, 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_La(Ge2Rh3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17778440
_cell_length_b   7.17778440
_cell_length_c   3.88722639
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001514
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La(Ge2Rh3)2
_chemical_formula_sum   'La1 Ge4 Rh6'
_cell_volume   173.44078029
_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  0.00000000  0.00000000  -0.00000000  1.0
  Ge  Ge1  1  0.66666700  0.33333300  -0.00000000  1.0
  Ge  Ge2  1  0.20012085  0.40024170  0.50000000  1.0
  Ge  Ge3  1  0.59975830  0.79987915  0.50000000  1.0
  Ge  Ge4  1  0.20012085  0.79987915  0.50000000  1.0
  Rh  Rh5  1  0.46705912  0.93411824  0.00000000  1.0
  Rh  Rh6  1  0.06588176  0.53294088  0.00000000  1.0
  Rh  Rh7  1  0.46705912  0.53294088  -0.00000000  1.0
  Rh  Rh8  1  0.79870066  0.59740132  0.50000000  1.0
  Rh  Rh9  1  0.40259868  0.20129934  0.50000000  1.0
  Rh  Rh10  1  0.79870066  0.20129934  0.50000000  1.0

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