La2Al3Ge4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-669456 · Space group: Cmce (#64)

Materials Project API

Basic Information

Formula

La2Al3Ge4

MP-ID

mp-669456

Elements

Sites

Density

5.7677

g/cm³

Volume

373.88

Å³

Cell a

8.2055

Cell b

8.2055

Cell c

8.0711

α Angle

90.00

β Angle

90.00

γ Angle

136.53

Space Group

Cmce

Point Group

mmm

Crystal System

Orthorhombic

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
11.61	7.6221	1.9	(1,-1,0)
15.99	5.5416	7.8	(1,-1,1)
19.19	4.6261	29.3	(1,0,1)
22.03	4.0356	3.7	(0,0,2)
23.34	3.8110	11.7	(2,-2,0)
24.97	3.5665	10.2	(1,-1,2)
25.37	3.5103	1.3	(2,-1,1)
25.85	3.4462	10.7	(2,-2,1)
27.16	3.2830	6.2	(1,0,2)
29.39	3.0387	17.1	(1,1,0)
31.70	2.8227	6.3	(2,0,0)
31.92	2.8038	48.2	(2,-1,2)
32.31	2.7708	16.7	(2,-2,2)
33.64	2.6644	61.8	(2,0,1)
34.74	2.5819	100.0	(3,-2,1)
35.38	2.5370	77.1	(1,-1,3)
37.01	2.4287	1.6	(1,0,3)
37.03	2.4275	73.3	(1,1,2)
37.10	2.4235	24.7	(3,-3,1)
37.87	2.3759	29.8	(3,-1,0)
39.54	2.2792	3.8	(3,-1,1)
39.92	2.2584	2.2	(3,-2,2)
42.02	2.1501	2.8	(3,-3,2)
44.92	2.0178	1.6	(0,0,4)

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Energy Properties

Formation Energy/atom

-0.54875

eV/atom

Energy/atom

-15.56806

eV/atom

Energy above Hull

0.0387

eV/atom

Uncorrected Energy

-15.5681

eV/atom

Volume/atom

20.77

Å³

c/a Ratio

0.9836

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

Ge · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0609

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8200

J/mol·K

Ω Parameter

0.3211

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.464%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3532

smaller = more stable mixing

VEC

3.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-30.614

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9656

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.456

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.444

Related Tasks

Related computation task IDs (5)

aaadnkni aaadrktb aaaetkuw aaafbtsg aaagaagi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-669456

Reference Citation

The crystal structure and related material properties of La2Al3Ge4 were obtained from the Materials Project database (MP-ID: mp-669456, 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_La2Al3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20548179
_cell_length_b   8.20548179
_cell_length_c   8.07113439
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   136.52806827
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Al3Ge4
_chemical_formula_sum   'La4 Al6 Ge8'
_cell_volume   373.87863469
_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
  La  La0  1  0.11460198  0.88539802  0.58177090  1.0
  La  La1  1  0.38539802  0.61460198  0.08177090  1.0
  La  La2  1  0.61460198  0.38539802  0.91822910  1.0
  La  La3  1  0.88539802  0.11460198  0.41822910  1.0
  Al  Al4  1  0.03429805  0.46570195  0.75000000  1.0
  Al  Al5  1  -0.00000000  0.00000000  -0.00000000  1.0
  Al  Al6  1  0.53429805  0.96570195  0.75000000  1.0
  Al  Al7  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al8  1  0.96570195  0.53429805  0.25000000  1.0
  Al  Al9  1  0.46570195  0.03429805  0.25000000  1.0
  Ge  Ge10  1  0.70063845  0.79936155  0.75000000  1.0
  Ge  Ge11  1  0.20063845  0.29936155  0.75000000  1.0
  Ge  Ge12  1  0.29936155  0.20063845  0.25000000  1.0
  Ge  Ge13  1  0.68710135  0.31289865  0.55398947  1.0
  Ge  Ge14  1  0.79936155  0.70063845  0.25000000  1.0
  Ge  Ge15  1  0.81289865  0.18710135  0.05398947  1.0
  Ge  Ge16  1  0.18710135  0.81289865  0.94601053  1.0
  Ge  Ge17  1  0.31289865  0.68710135  0.44601053  1.0

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