Nd2CdCu2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1069287 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Nd2CdCu2

MP-ID

mp-1069287

Elements

Sites

Density

7.6393

g/cm³

Volume

114.77

Å³

Cell a

3.7256

Cell b

4.2568

Cell c

7.5433

α Angle

106.39

β Angle

90.00

γ Angle

90.00

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
12.23	7.2368	2.0	(0,0,1)
21.76	4.0838	1.6	(0,1,0)
24.60	3.6184	5.3	(0,0,2)
27.95	3.1919	35.7	(0,1,1)
32.53	2.7523	100.0	(1,1,0)
34.56	2.5957	71.4	(1,0,2)
37.09	2.4240	29.4	(1,1,1)
37.28	2.4123	7.6	(0,0,3)
37.58	2.3937	43.8	(0,1,2)
42.47	2.1284	28.9	(0,2,-1)
45.02	2.0139	3.8	(1,1,2)
48.89	1.8628	19.0	(2,0,0)
48.98	1.8599	9.6	(0,1,3)
49.70	1.8345	1.7	(0,2,1)
50.44	1.8092	4.8	(0,0,4)
55.20	1.6640	12.1	(1,1,3)
55.48	1.6562	1.3	(2,0,2)
55.86	1.6458	35.2	(1,2,1)
56.55	1.6275	5.1	(1,0,4)
57.26	1.6089	9.7	(2,1,1)
57.77	1.5960	4.1	(0,2,2)
63.05	1.4744	3.1	(2,0,3)
63.26	1.4701	18.0	(2,1,2)
66.73	1.4017	14.5	(2,2,-1)

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Energy Properties

Formation Energy/atom

-0.25598

eV/atom

Energy/atom

-3.99492

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.4026

eV/atom

Volume/atom

22.95

Å³

c/a Ratio

2.0247

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

Nd · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

0.4428

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.465%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3466

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-23.388

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Nd-rich Multi-Component

Matrix Element

Nd · 0.400

Related Tasks

Related computation task IDs (5)

aaacivxy aaadsvsx aaaemchx aaaercmt aaafiehc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1069287

Reference Citation

The crystal structure and related material properties of Nd2CdCu2 were obtained from the Materials Project database (MP-ID: mp-1069287, 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_Nd2CdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72559413
_cell_length_b   4.25674878
_cell_length_c   7.54330051
_cell_angle_alpha   106.38881997
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2CdCu2
_chemical_formula_sum   'Nd2 Cd1 Cu2'
_cell_volume   114.76796308
_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  0.63338193  0.26676386  1.0
  Nd  Nd1  1  0.00000000  0.36661807  0.73323614  1.0
  Cd  Cd2  1  0.50000000  -0.00000000  -0.00000000  1.0
  Cu  Cu3  1  0.50000000  0.79662189  0.59324477  1.0
  Cu  Cu4  1  0.50000000  0.20337811  0.40675523  1.0

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