Nd6Cd23Ge

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3295007 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Nd6Cd23Ge

MP-ID

mp-3295007

Elements

Sites

Density

8.3035

g/cm³

Volume

704.64

Å³

Cell a

9.9884

Cell b

9.9884

Cell c

9.9884

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
12.53	7.0629	1.9	(1,1,0)
27.52	3.2407	2.5	(2,0,-1)
28.25	3.1586	6.9	(2,1,-1)
31.02	2.8834	7.5	(3,1,0)
31.02	2.8834	3.7	(1,0,3)
32.95	2.7185	46.9	(3,2,0)
35.97	2.4971	100.0	(2,0,-2)
37.67	2.3877	6.1	(3,1,-1)
37.67	2.3877	4.3	(1,-1,3)
38.23	2.3543	3.9	(3,0,-1)
38.23	2.3543	7.7	(1,0,-3)
40.38	2.2335	4.6	(3,2,-1)
41.94	2.1542	6.7	(4,1,0)
42.45	2.1295	5.7	(2,2,-2)
45.88	1.9780	1.9	(4,3,0)
45.88	1.9780	1.4	(0,2,-3)
49.57	1.8390	6.2	(4,2,-1)
51.78	1.7657	8.0	(4,4,0)
53.07	1.7257	1.7	(5,2,0)
53.49	1.7130	1.7	(5,1,0)
55.17	1.6647	10.6	(5,3,0)
56.41	1.6311	2.2	(5,0,0)
56.41	1.6311	5.4	(2,-1,-4)
58.44	1.5793	1.7	(4,2,-2)

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Energy Properties

Formation Energy/atom

-0.36776

eV/atom

Energy/atom

-22.12758

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.1276

eV/atom

Volume/atom

23.49

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0033

μB

Mag. Ordering

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

Cd · 0.767

Element Family

4d-TM

Solute Fraction

0.233

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6390

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.3124

J/mol·K

Ω Parameter

0.2165

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.420%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2325

smaller = more stable mixing

VEC

9.933

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-18.535

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5816

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.690

Family

Cd-rich Multi-Component

Matrix Element

Cd · 0.767

Related Tasks

Related computation task IDs (1)

aaahfmhb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295007

Reference Citation

The crystal structure and related material properties of Nd6Cd23Ge were obtained from the Materials Project database (MP-ID: mp-3295007, 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_Nd6Cd23Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98837933
_cell_length_b   9.98837914
_cell_length_c   9.98837879
_cell_angle_alpha   60.00000116
_cell_angle_beta   60.00000179
_cell_angle_gamma   60.00000056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6Cd23Ge
_chemical_formula_sum   'Nd6 Cd23 Ge1'
_cell_volume   704.64449630
_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  0.79084156  0.79084156  0.20915844  1.0
  Nd  Nd1  1  0.20915844  0.79084156  0.20915844  1.0
  Nd  Nd2  1  0.79084156  0.20915844  0.20915844  1.0
  Nd  Nd3  1  0.20915844  0.20915844  0.79084156  1.0
  Nd  Nd4  1  0.79084156  0.20915844  0.79084156  1.0
  Nd  Nd5  1  0.20915844  0.79084156  0.79084156  1.0
  Cd  Cd6  1  0.83386728  0.83386728  0.49839716  1.0
  Cd  Cd7  1  0.83386728  0.49839716  0.83386728  1.0
  Cd  Cd8  1  0.49839716  0.83386728  0.83386728  1.0
  Cd  Cd9  1  0.83386728  0.83386728  0.83386728  1.0
  Cd  Cd10  1  0.16613272  0.16613272  0.50160284  1.0
  Cd  Cd11  1  0.16613272  0.50160284  0.16613272  1.0
  Cd  Cd12  1  0.50160284  0.16613272  0.16613272  1.0
  Cd  Cd13  1  0.16613272  0.16613272  0.16613272  1.0
  Cd  Cd14  1  0.62270657  0.62270657  0.13188129  1.0
  Cd  Cd15  1  0.62270657  0.13188129  0.62270657  1.0
  Cd  Cd16  1  0.13188129  0.62270657  0.62270657  1.0
  Cd  Cd17  1  0.62270657  0.62270657  0.62270657  1.0
  Cd  Cd18  1  0.37729343  0.37729343  0.86811871  1.0
  Cd  Cd19  1  0.37729343  0.86811871  0.37729343  1.0
  Cd  Cd20  1  0.86811871  0.37729343  0.37729343  1.0
  Cd  Cd21  1  0.37729343  0.37729343  0.37729343  1.0
  Cd  Cd22  1  0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd23  1  0.50000000  0.00000000  0.50000000  1.0
  Cd  Cd24  1  0.00000000  0.50000000  0.50000000  1.0
  Cd  Cd25  1  0.50000000  0.50000000  0.00000000  1.0
  Cd  Cd26  1  0.00000000  0.50000000  0.00000000  1.0
  Cd  Cd27  1  0.50000000  0.00000000  0.00000000  1.0
  Cd  Cd28  1  0.50000000  0.50000000  0.50000000  1.0
  Ge  Ge29  1  0.00000000  0.00000000  0.00000000  1.0

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