NdIn5Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078125 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

NdIn5Co

MP-ID

mp-1078125

Elements

Sites

Density

8.1082

g/cm³

Volume

159.18

Å³

Cell a

4.5870

Cell b

4.5870

Cell c

7.5654

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

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
19.35	4.5870	4.7	(1,0,0)
22.67	3.9224	1.0	(1,0,1)
27.50	3.2435	5.0	(1,1,0)
29.97	2.9811	54.0	(1,1,1)
30.63	2.9184	2.9	(1,0,2)
35.60	2.5218	24.0	(0,0,3)
36.49	2.4623	100.0	(1,1,2)
39.28	2.2935	58.2	(2,0,0)
44.15	2.0514	1.1	(2,1,0)
45.56	1.9909	6.1	(1,1,3)
48.11	1.8913	3.0	(0,0,4)
50.62	1.8033	1.4	(2,1,2)
54.05	1.6967	28.3	(2,0,3)
56.31	1.6339	5.9	(1,1,4)
56.77	1.6218	19.2	(2,2,0)
63.78	1.4592	5.0	(2,0,4)
65.52	1.4246	11.3	(3,1,1)
68.42	1.3712	14.4	(1,1,5)
68.83	1.3640	13.5	(2,2,3)
69.39	1.3544	28.9	(3,1,2)
75.24	1.2630	1.4	(2,0,5)
75.38	1.2609	2.6	(0,0,6)
75.63	1.2574	2.5	(3,1,3)
77.54	1.2311	2.8	(2,2,4)

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Energy Properties

Formation Energy/atom

-0.33874

eV/atom

Energy/atom

-22.55948

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.5595

eV/atom

Volume/atom

22.74

Å³

c/a Ratio

1.6493

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

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

In · 0.714

Element Family

PostTransition-Noble

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.7963

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6205

J/mol·K

Ω Parameter

1.1011

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.349%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2324

smaller = more stable mixing

VEC

3.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.478

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7248

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.656

Family

In-rich Multi-Component

Matrix Element

In · 0.714

Related Tasks

Related computation task IDs (5)

aaadmlvj aaadsqli aaaelolu aaaeumur aaafwxfg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078125

Reference Citation

The crystal structure and related material properties of NdIn5Co were obtained from the Materials Project database (MP-ID: mp-1078125, 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_NdIn5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58703070
_cell_length_b   4.58703070
_cell_length_c   7.56537521
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdIn5Co
_chemical_formula_sum   'Nd1 In5 Co1'
_cell_volume   159.18192985
_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
  Nd  Nd0  1  0.00000000  0.00000000  -0.00000000  1.0
  In  In1  1  0.50000000  0.50000000  -0.00000000  1.0
  In  In2  1  0.50000000  -0.00000000  0.68914430  1.0
  In  In3  1  0.00000000  0.50000000  0.68914430  1.0
  In  In4  1  0.50000000  0.00000000  0.31085570  1.0
  In  In5  1  -0.00000000  0.50000000  0.31085570  1.0
  Co  Co6  1  0.00000000  0.00000000  0.50000000  1.0

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