UTeAs

High-Entropy Materials HEA Elasticity Data ELA

MP-ID: mp-10105 · Space group: P4/nmm (#129)

Materials Project API

Basic Information

Formula

UTeAs

MP-ID

mp-10105

Elements

Sites

Density

9.4449

g/cm³

Volume

154.91

Å³

Cell a

4.1185

Cell b

4.1185

Cell c

9.1327

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/nmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

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
19.44	4.5663	27.4	(0,0,2)
23.70	3.7544	58.1	(1,0,1)
29.20	3.0583	34.3	(1,0,2)
29.34	3.0442	10.8	(0,0,3)
30.70	2.9122	61.5	(1,1,0)
32.26	2.7746	36.8	(1,1,1)
36.60	2.4554	97.9	(1,1,2)
36.71	2.4481	100.0	(1,0,3)
39.47	2.2832	6.9	(0,0,4)
43.97	2.0593	57.1	(2,0,0)
48.49	1.8772	11.2	(2,0,2)
49.93	1.8265	3.7	(0,0,5)
50.55	1.8055	16.7	(2,1,1)
53.66	1.7081	12.4	(2,1,2)
53.74	1.7057	7.7	(2,0,3)
55.00	1.6697	33.0	(1,0,5)
58.58	1.5759	52.9	(2,1,3)
60.55	1.5292	8.3	(2,0,4)
60.86	1.5221	1.3	(0,0,6)
63.94	1.4561	19.1	(2,2,0)
65.36	1.4277	1.5	(1,0,6)
67.52	1.3873	4.5	(2,2,2)
68.69	1.3665	5.7	(2,0,5)
69.20	1.3576	3.5	(3,0,1)

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Energy Properties

Formation Energy/atom

-0.87248

eV/atom

Energy/atom

-40.89475

eV/atom

Energy above Hull

0.1475

eV/atom

Uncorrected Energy

-7.0261

eV/atom

Volume/atom

25.82

Å³

c/a Ratio

2.2175

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.1333

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.033140

μB/Å³

Elastic Properties

K_VRH

68.521

GPa

G_VRH

30.159

GPa

Young's Modulus E

78.901

GPa

Poisson Ratio ν

0.308

Pugh Ratio K/G

2.272

Vickers Hardness Est.

2.617

GPa

Ductility

Brittle

Anisotropy

0.658

Lame λ

48.415

GPa

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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.168%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3598

smaller = more stable mixing

VEC

3.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.6580

Homogeneous Poisson ν

0.3080

Homogeneity

0.3080

Related Tasks

Related computation task IDs (6)

aaadiska aaadmlsg aaadsoev aaadxetu aaaeuhux aaafdiye

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10105

Reference Citation

The crystal structure and related material properties of UTeAs were obtained from the Materials Project database (MP-ID: mp-10105, 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_UTeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11849751
_cell_length_b   4.11849751
_cell_length_c   9.13268911
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UTeAs
_chemical_formula_sum   'U2 Te2 As2'
_cell_volume   154.90887123
_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  0.75000000  0.75000000  0.24623701  1.0
  U  U1  1  0.25000000  0.25000000  0.75376299  1.0
  Te  Te2  1  0.75000000  0.75000000  0.62657053  1.0
  Te  Te3  1  0.25000000  0.25000000  0.37342947  1.0
  As  As4  1  0.25000000  0.75000000  0.00000000  1.0
  As  As5  1  0.75000000  0.25000000  0.00000000  1.0

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