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La2Ga10Ni

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1104497 · Space group: I4/mmm (#139)

Basic Information

Formula
La2Ga10Ni
MP-ID
mp-1104497
Elements
3
Sites
13
Density
6.7623
g/cm³
Volume
253.84
ų
Cell a
13.5133
Å
Cell b
13.5133
Å
Cell c
13.5133
Å
α Angle
161.29
°
β Angle
161.29
°
γ Angle
26.58
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
20.50 4.3333 5.0 (1,0,0)
28.74 3.1066 8.4 (0,0,1)
29.55 3.0234 12.9 (1,1,0)
31.33 2.8556 78.5 (4,3,-3)
31.86 2.8089 89.5 (2,2,-1)
34.09 2.6303 9.0 (5,5,-5)
35.41 2.5347 51.9 (3,3,-2)
36.94 2.4333 8.7 (5,4,-4)
39.93 2.2580 10.8 (4,4,-3)
41.09 2.1967 100.0 (1,-1,1)
43.07 2.1002 15.1 (6,5,-5)
45.17 2.0074 36.9 (5,5,-4)
46.34 1.9593 1.1 (1,0,1)
49.60 1.8378 25.0 (7,6,-6)
52.56 1.7411 35.8 (4,3,-2)
54.42 1.6860 9.4 (6,4,-4)
56.43 1.6305 5.1 (5,4,-3)
56.51 1.6286 2.0 (8,7,-7)
57.31 1.6076 13.0 (7,7,-6)
59.51 1.5533 32.6 (0,0,2)
59.58 1.5516 1.2 (7,5,-5)
61.04 1.5180 10.7 (6,5,-4)
64.09 1.4530 3.5 (8,8,-7)
66.31 1.4095 20.3 (7,6,-5)
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Energy Properties

Formation Energy/atom
-0.49239
eV/atom
Energy/atom
-4.02571
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-4.0257
eV/atom
Volume/atom
19.53
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0032
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.769
Element Family
PostTransition-Noble
Solute Fraction
0.231
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.6871
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
5.7125
J/mol·K
Ω Parameter
0.1766
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.483%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2608
smaller = more stable mixing
VEC
3.538
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-17.771
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6254
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.673
Family
Ga-rich Multi-Component
Matrix Element
Ga · 0.769

Related Tasks

Related computation task IDs (4)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1104497
Reference Citation

The crystal structure and related material properties of La2Ga10Ni were obtained from the Materials Project database (MP-ID: mp-1104497, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_La2Ga10Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.51326888
_cell_length_b   13.51326888
_cell_length_c   13.51326888
_cell_angle_alpha   161.28933979
_cell_angle_beta   161.28933979
_cell_angle_gamma   26.58118583
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Ga10Ni
_chemical_formula_sum   'La2 Ga10 Ni1'
_cell_volume   253.84040674
_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  0.64535000  0.64535000  0.00000000  1.0
  La  La1  1  0.35465000  0.35465000  0.00000000  1.0
  Ga  Ga2  1  0.75000000  0.25000000  0.50000000  1.0
  Ga  Ga3  1  0.25000000  0.75000000  0.50000000  1.0
  Ga  Ga4  1  0.54953200  0.04953200  0.50000000  1.0
  Ga  Ga5  1  0.04953200  0.54953200  0.50000000  1.0
  Ga  Ga6  1  0.45046800  0.95046800  0.50000000  1.0
  Ga  Ga7  1  0.95046800  0.45046800  0.50000000  1.0
  Ga  Ga8  1  0.89564000  0.89564000  0.00000000  1.0
  Ga  Ga9  1  0.10436000  0.10436000  0.00000000  1.0
  Ga  Ga10  1  0.80264800  0.80264800  0.00000000  1.0
  Ga  Ga11  1  0.19735200  0.19735200  0.00000000  1.0
  Ni  Ni12  1  0.50000000  0.50000000  0.00000000  1.0
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