LuCdNi4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1077095 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

LuCdNi4

MP-ID

mp-1077095

Elements

Sites

Density

10.2814

g/cm³

Volume

84.33

Å³

Cell a

4.9223

Cell b

4.9223

Cell c

4.9223

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

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 12)

2θ	d (Å)	I	hkl
22.12	4.0191	11.1	(1,1,1)
25.59	3.4806	3.1	(1,1,0)
36.51	2.4612	58.7	(2,1,1)
43.10	2.0989	100.0	(2,2,1)
45.12	2.0095	18.2	(2,2,2)
57.73	1.5970	3.1	(3,2,2)
59.37	1.5566	1.3	(3,2,1)
65.71	1.4210	20.7	(3,3,2)
70.26	1.3397	29.7	(3,3,3)
77.58	1.2306	21.9	(4,2,2)
81.87	1.1767	2.4	(4,3,2)
88.92	1.1007	9.5	(4,3,1)

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Energy Properties

Formation Energy/atom

-0.36849

eV/atom

Energy/atom

-5.13553

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-5.1355

eV/atom

Volume/atom

14.06

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0183

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000220

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.667

Element Family

3d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

8.9827

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.341%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2362

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.262

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.711

Family

Ni-based Alloy

Matrix Element

Ni · 0.667

Related Tasks

Related computation task IDs (5)

aaadmrgl aaadswpd aaadynxj aaaeuscf aaafjkgw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1077095

Reference Citation

The crystal structure and related material properties of LuCdNi4 were obtained from the Materials Project database (MP-ID: mp-1077095, 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

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Raw CIF Data

# generated using pymatgen
data_LuCdNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92232445
_cell_length_b   4.92232445
_cell_length_c   4.92232445
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuCdNi4
_chemical_formula_sum   'Lu1 Cd1 Ni4'
_cell_volume   84.33264315
_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
  Lu  Lu0  1  0.25000000  0.25000000  0.25000000  1.0
  Cd  Cd1  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni2  1  0.62565800  0.62565800  0.12302600  1.0
  Ni  Ni3  1  0.62565800  0.12302600  0.62565800  1.0
  Ni  Ni4  1  0.12302600  0.62565800  0.62565800  1.0
  Ni  Ni5  1  0.62565800  0.62565800  0.62565800  1.0

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