UCoGe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1072004 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

UCoGe

MP-ID

mp-1072004

Elements

Sites

Density

11.9347

g/cm³

Volume

102.85

Å³

Cell a

4.1756

Cell b

4.1756

Cell c

6.8113

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

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
24.62	3.6162	74.2	(1,0,-1,0)
24.62	3.6161	37.1	(1,-1,0,0)
26.17	3.4057	9.8	(0,0,0,2)
36.23	2.4793	100.0	(1,0,-1,-2)
36.23	2.4793	100.0	(1,0,-1,2)
36.23	2.4792	50.0	(1,-1,0,-2)
36.23	2.4792	50.0	(1,-1,0,2)
43.34	2.0879	46.1	(1,1,-2,0)
43.34	2.0878	92.2	(2,-1,-1,0)
50.47	1.8081	11.7	(2,0,-2,0)
50.48	1.8081	5.9	(2,-2,0,0)
51.33	1.7800	3.8	(1,1,-2,2)
51.33	1.7800	3.8	(2,-1,-1,-2)
51.33	1.7800	3.8	(2,-1,-1,2)
53.84	1.7028	24.4	(0,0,0,4)
57.73	1.5970	26.4	(2,0,-2,-2)
57.73	1.5970	26.4	(2,0,-2,2)
57.73	1.5970	13.2	(2,-2,0,-2)
57.73	1.5970	13.2	(2,-2,0,2)
60.05	1.5406	7.2	(1,0,-1,-4)
60.05	1.5406	7.2	(1,0,-1,4)
60.05	1.5406	3.6	(1,-1,0,-4)
60.05	1.5406	3.6	(1,-1,0,4)
68.67	1.3668	5.1	(2,1,-3,0)

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Energy Properties

Formation Energy/atom

-0.28103

eV/atom

Energy/atom

-7.96365

eV/atom

Energy above Hull

0.0559

eV/atom

Uncorrected Energy

-7.9637

eV/atom

Volume/atom

17.14

Å³

c/a Ratio

1.6312

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9865

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.019310

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

U · 0.333

Element Family

Actinide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

8.6885

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.638%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2716

smaller = more stable mixing

VEC

6.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.536

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.392

Family

U-rich Multi-Component

Matrix Element

U · 0.333

Related Tasks

Related computation task IDs (6)

aaacjaej aaadisje aaadsakw aaaeflwm aaaeqxzt aaafikbw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1072004

Reference Citation

The crystal structure and related material properties of UCoGe were obtained from the Materials Project database (MP-ID: mp-1072004, 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_UCoGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17558512
_cell_length_b   4.17558512
_cell_length_c   6.81130062
_cell_angle_alpha   89.99991370
_cell_angle_beta   90.00008630
_cell_angle_gamma   119.99824292
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCoGe
_chemical_formula_sum   'U2 Co2 Ge2'
_cell_volume   102.84970557
_cell_formula_units_Z   2
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  -0.00000000  0.50000000  1.0
  U  U1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Co  Co2  1  0.66682205  0.33317795  0.74997937  1.0
  Co  Co3  1  0.33317795  0.66682205  0.25002063  1.0
  Ge  Ge4  1  0.33339878  0.66660122  0.74996046  1.0
  Ge  Ge5  1  0.66660122  0.33339878  0.25003954  1.0

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