LaGa2Ni

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079217 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

LaGa2Ni

MP-ID

mp-1079217

Elements

Sites

Density

7.1082

g/cm³

Volume

157.47

Å³

Cell a

9.0153

Cell b

9.0153

Cell c

4.2433

α Angle

90.00

β Angle

90.00

γ Angle

152.83

Space Group

Cmmm

Point Group

mmm

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
10.09	8.7631	4.3	(1,-1,0)
20.27	4.3815	1.2	(2,-2,0)
25.99	3.4288	13.6	(2,-1,0)
29.30	3.0482	30.5	(2,-2,1)
30.25	2.9546	20.3	(1,0,1)
30.61	2.9210	5.0	(3,-3,0)
33.18	2.7003	4.4	(3,-2,0)
33.60	2.6669	100.0	(2,-1,1)
37.38	2.4060	13.9	(3,-3,1)
39.56	2.2781	7.6	(3,-2,1)
41.21	2.1908	1.5	(4,-4,0)
41.92	2.1553	38.0	(4,-3,0)
42.61	2.1216	29.5	(0,0,2)
42.70	2.1175	29.3	(1,1,0)
46.66	1.9466	12.7	(4,-4,1)
47.31	1.9216	3.8	(4,-3,1)
50.59	1.8042	4.4	(2,-1,2)
52.63	1.7391	11.8	(3,-1,1)
53.37	1.7166	2.1	(3,-3,2)
53.45	1.7144	2.1	(4,-2,0)
55.05	1.6683	2.1	(3,-2,2)
56.34	1.6330	2.6	(5,-4,1)
56.84	1.6199	5.3	(5,-5,1)
58.02	1.5896	7.5	(4,-2,1)

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Energy Properties

Formation Energy/atom

-0.62404

eV/atom

Energy/atom

-4.81712

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.8291

eV/atom

Volume/atom

19.68

Å³

c/a Ratio

0.4707

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0002

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

Ga · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.2560

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.969%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3245

smaller = more stable mixing

VEC

4.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-29.771

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.509

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.500

Related Tasks

Related computation task IDs (5)

aaadmntv aaadrddd aaaemilw aaaeuosg aaafdgso

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079217

Reference Citation

The crystal structure and related material properties of LaGa2Ni were obtained from the Materials Project database (MP-ID: mp-1079217, 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_LaGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01527059
_cell_length_b   9.01527059
_cell_length_c   4.24326412
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   152.83109645
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Ni
_chemical_formula_sum   'La2 Ga4 Ni2'
_cell_volume   157.47365461
_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  0.14137000  0.85863000  -0.00000000  1.0
  La  La1  1  0.85863000  0.14137000  -0.00000000  1.0
  Ga  Ga2  1  0.50000000  0.50000000  -0.00000000  1.0
  Ga  Ga3  1  0.00000000  -0.00000000  0.50000000  1.0
  Ga  Ga4  1  0.29041412  0.70958588  0.50000000  1.0
  Ga  Ga5  1  0.70958588  0.29041412  0.50000000  1.0
  Ni  Ni6  1  0.42915902  0.57084098  0.50000000  1.0
  Ni  Ni7  1  0.57084098  0.42915902  0.50000000  1.0

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