MnGaNi2

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1066921 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

MnGaNi2

MP-ID

mp-1066921

Elements

Sites

Density

8.1959

g/cm³

Volume

49.04

Å³

Cell a

3.7515

Cell b

3.7515

Cell c

3.4845

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

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 6)

2θ	d (Å)	I	hkl
42.85	2.1107	100.0	(1,1,1)
48.53	1.8758	34.1	(2,0,0)
52.52	1.7423	13.3	(0,0,2)
71.07	1.3264	10.0	(2,2,0)
74.30	1.2766	17.5	(2,0,2)
86.70	1.1230	23.0	(3,1,1)

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Energy Properties

Formation Energy/atom

-0.39827

eV/atom

Energy/atom

-12.92065

eV/atom

Energy above Hull

0.0286

eV/atom

Uncorrected Energy

-6.2046

eV/atom

Volume/atom

12.26

Å³

c/a Ratio

0.9288

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.1924

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.085490

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Shared across all datasets

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

HEA

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

0.7943

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.529%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1472

smaller = more stable mixing

VEC

7.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.360

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

TRA

ROM Blended-Feature Radar

Rating & Classification

Related Tasks

Related computation task IDs (5)

aaacisma aaadwmbd aaadxyrr aaaetqct aaafisvd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1066921

Reference Citation

The crystal structure and related material properties of MnGaNi2 were obtained from the Materials Project database (MP-ID: mp-1066921, 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_MnGaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75149500
_cell_length_b   3.75149500
_cell_length_c   3.48453100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaNi2
_chemical_formula_sum   'Mn1 Ga1 Ni2'
_cell_volume   49.04029528
_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
  Mn  Mn0  1  0.00000000  0.00000000  0.00000000  1.0
  Ga  Ga1  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni2  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni3  1  0.50000000  0.00000000  0.50000000  1.0

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