UAl4Co

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-30914 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

UAl4Co

MP-ID

mp-30914

Elements

Sites

Density

6.8625

g/cm³

Volume

293.92

Å³

Cell a

9.1038

Cell b

9.1038

Cell c

4.0950

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

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
11.22	7.8841	32.0	(1,0,-1,0)
19.50	4.5519	93.9	(2,-1,-1,0)
21.70	4.0950	83.1	(0,0,0,1)
22.56	3.9421	58.7	(2,0,-2,0)
24.50	3.6340	14.1	(1,0,-1,1)
29.34	3.0443	64.0	(2,-1,-1,1)
29.34	3.0443	32.0	(1,1,-2,1)
29.99	2.9799	24.2	(3,-1,-2,0)
29.99	2.9799	12.1	(2,1,-3,0)
31.50	2.8400	24.1	(2,-2,0,1)
31.50	2.8400	48.1	(2,0,-2,1)
34.12	2.6281	30.2	(3,0,-3,0)
37.32	2.4095	73.7	(3,-1,-2,1)
37.32	2.4095	36.9	(2,1,-3,1)
39.60	2.2760	9.6	(4,-2,-2,0)
40.80	2.2117	72.9	(3,0,-3,1)
41.29	2.1867	100.0	(4,-1,-3,0)
44.24	2.0475	38.2	(0,0,0,2)
45.60	1.9893	18.8	(4,-2,-2,1)
45.79	1.9817	2.4	(1,0,-1,2)
47.12	1.9289	42.6	(4,-1,-3,1)
47.12	1.9289	21.3	(3,1,-4,1)
48.77	1.8673	12.8	(2,-1,-1,2)
48.77	1.8673	6.4	(1,1,-2,2)

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Energy Properties

Formation Energy/atom

-0.33823

eV/atom

Energy/atom

-20.35568

eV/atom

Energy above Hull

0.0300

eV/atom

Uncorrected Energy

-5.8804

eV/atom

Volume/atom

16.33

Å³

c/a Ratio

0.4498

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.5467

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.018870

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.667

Element Family

PostTransition-Noble

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

0.9833

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.188%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1446

smaller = more stable mixing

VEC

4.200

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.444

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.731

Family

Al-based Alloy

Matrix Element

Al · 0.667

Related Tasks

Related computation task IDs (5)

aaaddrcx aaadmdgu aaadqzsj aaaesjwt aaafrwsf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30914

Reference Citation

The crystal structure and related material properties of UAl4Co were obtained from the Materials Project database (MP-ID: mp-30914, 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_UAl4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.10381470
_cell_length_b   9.10381470
_cell_length_c   4.09494900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000506
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UAl4Co
_chemical_formula_sum   'U3 Al12 Co3'
_cell_volume   293.91782517
_cell_formula_units_Z   3
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
  U  U0  1  0.00000000  0.40927500  0.00000000  1.0
  U  U1  1  0.59072500  0.59072500  0.00000000  1.0
  U  U2  1  0.40927500  0.00000000  0.00000000  1.0
  Al  Al3  1  0.00000000  0.74155700  0.00000000  1.0
  Al  Al4  1  0.25844300  0.25844300  0.00000000  1.0
  Al  Al5  1  0.74155700  0.00000000  0.00000000  1.0
  Al  Al6  1  0.00000000  0.16942600  0.50000000  1.0
  Al  Al7  1  0.83057400  0.83057400  0.50000000  1.0
  Al  Al8  1  0.16942600  0.00000000  0.50000000  1.0
  Al  Al9  1  0.29700200  0.48009300  0.50000000  1.0
  Al  Al10  1  0.18309100  0.70299800  0.50000000  1.0
  Al  Al11  1  0.51990700  0.81690900  0.50000000  1.0
  Al  Al12  1  0.81690900  0.51990700  0.50000000  1.0
  Al  Al13  1  0.70299800  0.18309100  0.50000000  1.0
  Al  Al14  1  0.48009300  0.29700200  0.50000000  1.0
  Co  Co15  1  0.66666700  0.33333300  0.00000000  1.0
  Co  Co16  1  0.33333300  0.66666700  0.00000000  1.0
  Co  Co17  1  0.00000000  0.00000000  0.00000000  1.0

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