La2Ga3Ni2Ge

High-Entropy Materials HEA

MP-ID: mp-3248131 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

La2Ga3Ni2Ge

MP-ID

mp-3248131

Elements

Sites

Density

7.1785

g/cm³

Volume

156.61

Å³

Cell a

8.9457

Cell b

8.9457

Cell c

4.2702

α Angle

90.00

β Angle

90.00

γ Angle

152.72

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
10.18	8.6935	2.8	(1,-1,0)
20.43	4.3468	1.2	(2,-2,0)
26.13	3.4108	12.5	(2,-1,0)
29.32	3.0462	26.8	(2,-2,1)
30.22	2.9574	19.3	(1,0,1)
30.86	2.8978	5.9	(3,-3,0)
33.39	2.6833	3.2	(3,-2,0)
33.63	2.6650	100.0	(2,-1,1)
37.51	2.3978	14.0	(3,-3,1)
39.67	2.2720	5.7	(3,-2,1)
42.22	2.1404	35.6	(4,-3,0)
42.33	2.1351	28.9	(0,0,2)
42.87	2.1093	27.9	(1,1,0)
46.91	1.9369	11.2	(4,-4,1)
47.52	1.9135	3.5	(4,-3,1)
50.43	1.8097	4.1	(2,-1,2)
52.79	1.7342	10.3	(3,-1,1)
53.29	1.7189	2.6	(3,-3,2)
53.75	1.7054	2.5	(4,-2,0)
54.96	1.6707	1.6	(3,-2,2)
56.66	1.6244	3.6	(5,-4,1)
57.21	1.6103	6.0	(5,-5,1)
58.26	1.5837	7.5	(4,-2,1)
61.33	1.5116	22.9	(4,-3,2)

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Energy Properties

Formation Energy/atom

-0.74028

eV/atom

Energy/atom

-17.19695

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.1970

eV/atom

Volume/atom

19.58

Å³

c/a Ratio

0.4773

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Ga · 0.375

Element Family

PostTransition-Noble

Solute Fraction

0.625

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3209

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.9819

J/mol·K

Ω Parameter

0.3421

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.634%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3424

smaller = more stable mixing

VEC

4.875

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-31.946

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9528

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcuyd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3248131

Reference Citation

The crystal structure and related material properties of La2Ga3Ni2Ge were obtained from the Materials Project database (MP-ID: mp-3248131, 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_La2Ga3Ni2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94574356
_cell_length_b   8.94574328
_cell_length_c   4.27016922
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   152.72368994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Ga3Ni2Ge
_chemical_formula_sum   'La2 Ga3 Ni2 Ge1'
_cell_volume   156.60688692
_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  0.14336640  0.85663360  0.00000000  1.0
  La  La1  1  0.85671191  0.14328809  0.00000000  1.0
  Ga  Ga2  1  0.50022094  0.49977906  0.00000000  1.0
  Ga  Ga3  1  0.99958458  0.00041542  0.50000000  1.0
  Ga  Ga4  1  0.70814546  0.29185454  0.50000000  1.0
  Ni  Ni5  1  0.42829796  0.57170204  0.50000000  1.0
  Ni  Ni6  1  0.57149092  0.42850908  0.50000000  1.0
  Ge  Ge7  1  0.29218183  0.70781817  0.50000000  1.0

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