NdInCo2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078606 · Space group: Pmma (#51)

Materials Project API

Basic Information

Formula

NdInCo2

MP-ID

mp-1078606

Elements

Sites

Density

8.3330

g/cm³

Volume

150.22

Å³

Cell a

4.0746

Cell b

5.0976

Cell c

7.2324

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmma

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
12.24	7.2324	3.1	(0,0,1)
21.81	4.0746	1.0	(1,0,0)
24.62	3.6162	8.6	(0,0,2)
25.08	3.5500	1.1	(1,0,1)
30.69	2.9132	100.0	(1,1,1)
33.12	2.7047	14.1	(1,0,2)
35.21	2.5488	28.0	(0,2,0)
37.30	2.4108	22.3	(0,0,3)
37.41	2.4039	7.4	(0,2,1)
37.65	2.3892	66.9	(1,1,2)
41.43	2.1794	19.9	(0,1,3)
41.80	2.1609	11.6	(1,2,0)
43.44	2.0833	21.3	(0,2,2)
43.62	2.0748	4.6	(1,0,3)
43.72	2.0704	19.1	(1,2,1)
44.47	2.0373	31.3	(2,0,0)
47.30	1.9218	18.3	(1,1,3)
51.48	1.7750	2.5	(2,0,2)
52.23	1.7515	4.4	(0,2,3)
55.61	1.6527	1.2	(1,0,4)
57.95	1.5914	13.0	(2,2,0)
58.73	1.5721	8.2	(1,1,4)
59.40	1.5561	11.1	(2,0,3)
59.47	1.5542	3.7	(2,2,1)

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Energy Properties

Formation Energy/atom

-0.26039

eV/atom

Energy/atom

-19.87665

eV/atom

Energy above Hull

0.0539

eV/atom

Uncorrected Energy

-5.6299

eV/atom

Volume/atom

18.78

Å³

c/a Ratio

1.7750

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.2854

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.028530

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.500

Element Family

3d-TM

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

1.2730

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.463%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3087

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.934

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.638

Family

Co-based Alloy

Matrix Element

Co · 0.500

Related Tasks

Related computation task IDs (5)

aaadmvbt aaadsasw aaaeunyq aaaezwgc aaafskgk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078606

Reference Citation

The crystal structure and related material properties of NdInCo2 were obtained from the Materials Project database (MP-ID: mp-1078606, 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_NdInCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07459700
_cell_length_b   5.09759600
_cell_length_c   7.23243900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdInCo2
_chemical_formula_sum   'Nd2 In2 Co4'
_cell_volume   150.22245455
_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
  Nd  Nd0  1  0.50000000  0.75000000  0.71694000  1.0
  Nd  Nd1  1  0.50000000  0.25000000  0.28306000  1.0
  In  In2  1  0.00000000  0.75000000  0.34122400  1.0
  In  In3  1  0.00000000  0.25000000  0.65877600  1.0
  Co  Co4  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co5  1  0.00000000  0.50000000  0.00000000  1.0
  Co  Co6  1  0.50000000  0.75000000  0.09131700  1.0
  Co  Co7  1  0.50000000  0.25000000  0.90868300  1.0

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