GdAlGe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1025108 · Space group: I4_1md (#109)

Materials Project API

Basic Information

Formula

GdAlGe

MP-ID

mp-1025108

Elements

Sites

Density

6.5962

g/cm³

Volume

129.33

Å³

Cell a

7.9243

Cell b

7.9243

Cell c

7.9243

α Angle

149.30

β Angle

149.30

γ Angle

43.97

Space Group

I4_1md

Point Group

4mm

Crystal System

Tetragonal

Bravais Lattice

Stability

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
22.03	4.0342	13.7	(1,0,0)
24.22	3.6741	15.6	(2,2,-2)
28.00	3.1865	41.8	(2,1,-1)
32.55	2.7508	100.0	(1,1,0)
37.36	2.4072	45.3	(3,2,-2)
43.12	2.0977	33.9	(1,-1,1)
48.18	1.8888	2.2	(3,3,-2)
48.49	1.8775	22.2	(4,3,-3)
48.94	1.8611	3.6	(1,0,1)
49.63	1.8370	1.9	(4,4,-4)
50.07	1.8217	9.0	(3,1,-1)
52.21	1.7521	15.0	(2,1,0)
58.35	1.5815	24.6	(3,2,-1)
60.88	1.5217	5.4	(5,4,-4)
62.63	1.4833	11.1	(0,0,2)
66.88	1.3990	16.8	(4,3,-2)
67.81	1.3820	2.9	(5,3,-3)
68.18	1.3754	3.6	(2,2,0)
69.96	1.3447	3.1	(3,0,0)
71.66	1.3169	9.3	(5,5,-4)
72.38	1.3056	19.7	(2,0,1)
75.25	1.2628	5.8	(4,1,-1)
77.49	1.2317	5.3	(5,4,-3)
78.02	1.2247	2.9	(6,6,-6)

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Energy Properties

Formation Energy/atom

-0.62465

eV/atom

Energy/atom

-8.10623

eV/atom

Energy above Hull

0.0711

eV/atom

Uncorrected Energy

-8.1062

eV/atom

Volume/atom

21.56

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

13.9857

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.108140

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Gd · 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

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

0.3064

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.332%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3307

smaller = more stable mixing

VEC

3.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-37.063

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.382

Family

Gd-rich Multi-Component

Matrix Element

Gd · 0.333

Related Tasks

Related computation task IDs (4)

aaadomey aaadwcpg aaaefzrh aaafbcpv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025108

Reference Citation

The crystal structure and related material properties of GdAlGe were obtained from the Materials Project database (MP-ID: mp-1025108, 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_GdAlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92431465
_cell_length_b   7.92431465
_cell_length_c   7.92431465
_cell_angle_alpha   149.30039669
_cell_angle_beta   149.30039669
_cell_angle_gamma   43.96932422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdAlGe
_chemical_formula_sum   'Gd2 Al2 Ge2'
_cell_volume   129.33112479
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.58139800  0.58139800  0.00000000  1.0
  Gd  Gd1  1  0.33139800  0.83139800  0.50000000  1.0
  Al  Al2  1  0.16530800  0.16530800  0.00000000  1.0
  Al  Al3  1  0.91530800  0.41530800  0.50000000  1.0
  Ge  Ge4  1  0.00029400  0.00029400  0.00000000  1.0
  Ge  Ge5  1  0.75029400  0.25029400  0.50000000  1.0

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