Y4CuTe8

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-675009 · Space group: Pc (#7)

Materials Project API

Basic Information

Formula

Y4CuTe8

MP-ID

mp-675009

Elements

Sites

Density

6.2021

g/cm³

Volume

771.08

Å³

Cell a

6.1025

Cell b

11.2235

Cell c

15.3998

α Angle

46.97

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
10.78	8.2049	2.9	(0,1,0)
15.74	5.6290	2.7	(0,0,2)
15.82	5.6004	1.5	(0,2,2)
16.52	5.3650	3.2	(1,0,1)
16.54	5.3588	3.1	(1,1,1)
21.54	4.1262	2.4	(1,2,2)
22.56	3.9415	1.7	(1,1,-1)
22.60	3.9341	1.6	(1,2,1)
23.26	3.8237	1.2	(1,1,3)
23.30	3.8170	1.1	(1,2,3)
24.53	3.6283	41.2	(0,1,-2)
24.64	3.6130	44.8	(0,3,2)
25.51	3.4922	43.3	(0,1,4)
25.61	3.4785	39.0	(0,3,4)
26.17	3.4046	6.2	(1,2,0)
28.02	3.1848	1.2	(1,3,3)
28.62	3.1187	20.3	(1,1,-2)
28.71	3.1090	17.9	(1,3,2)
29.27	3.0512	8.3	(2,0,0)
29.47	3.0310	32.6	(1,1,4)
29.56	3.0220	32.9	(1,3,4)
31.54	2.8366	82.1	(2,1,2)
31.79	2.8145	23.8	(0,0,4)
31.96	2.8002	19.1	(0,4,4)

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Energy Properties

Formation Energy/atom

-1.34054

eV/atom

Energy/atom

-5.59301

eV/atom

Energy above Hull

0.0260

eV/atom

Uncorrected Energy

-5.3333

eV/atom

Volume/atom

29.66

Å³

c/a Ratio

2.5235

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0010

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

48.972

GPa

G_VRH

11.154

GPa

Young's Modulus E

31.101

GPa

Poisson Ratio ν

0.394

Pugh Ratio K/G

4.391

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

-2,964,726.120

Lame λ

41.536

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Te · 0.615

Element Family

Metalloid-Nonmetal

Solute Fraction

0.385

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8587

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1396

J/mol·K

Ω Parameter

3.7799

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.771%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3993

smaller = more stable mixing

VEC

4.231

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.083

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7817

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.593

Family

Te-rich Multi-Component

Matrix Element

Te · 0.615

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

-2,964,726.1200

Homogeneous Poisson ν

0.3940

Debye Temperature

220.1

Sound Velocity

1,516.9

m/s

Homogeneity

0.3940

Related Tasks

Related computation task IDs (2)

aaacbxxq aaaecbqs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-675009

Reference Citation

The crystal structure and related material properties of Y4CuTe8 were obtained from the Materials Project database (MP-ID: mp-675009, 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_Y4CuTe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10247600
_cell_length_b   11.22346000
_cell_length_c   15.39983874
_cell_angle_alpha   46.97457281
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4CuTe8
_chemical_formula_sum   'Y8 Cu2 Te16'
_cell_volume   771.07508803
_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
  Y  Y0  1  0.00107800  0.93228000  0.65815900  1.0
  Y  Y1  1  0.99892200  0.93228000  0.15815900  1.0
  Y  Y2  1  0.00222300  0.43983900  0.15278400  1.0
  Y  Y3  1  0.99777700  0.43983900  0.65278400  1.0
  Y  Y4  1  0.50205100  0.06125600  0.84755000  1.0
  Y  Y5  1  0.49365700  0.56398900  0.33843600  1.0
  Y  Y6  1  0.49794900  0.06125600  0.34755000  1.0
  Y  Y7  1  0.50634300  0.56398900  0.83843600  1.0
  Cu  Cu8  1  0.69741500  0.21302900  0.59801000  1.0
  Cu  Cu9  1  0.30258500  0.21302900  0.09801000  1.0
  Te  Te10  1  0.24534500  0.24931500  0.40907400  1.0
  Te  Te11  1  0.24958200  0.25194500  0.91038900  1.0
  Te  Te12  1  0.99611000  0.58802200  0.39726000  1.0
  Te  Te13  1  0.00389000  0.58802200  0.89726000  1.0
  Te  Te14  1  0.99859200  0.08596500  0.76654600  1.0
  Te  Te15  1  0.00140800  0.08596500  0.26654600  1.0
  Te  Te16  1  0.75041800  0.25194500  0.41038900  1.0
  Te  Te17  1  0.74452900  0.74661700  0.08803700  1.0
  Te  Te18  1  0.75465500  0.24931500  0.90907400  1.0
  Te  Te19  1  0.75084100  0.75424600  0.58524100  1.0
  Te  Te20  1  0.49790100  0.41929800  0.09749500  1.0
  Te  Te21  1  0.49531600  0.91253600  0.73899800  1.0
  Te  Te22  1  0.50209900  0.41929800  0.59749500  1.0
  Te  Te23  1  0.50468400  0.91253600  0.23899800  1.0
  Te  Te24  1  0.24915900  0.75424600  0.08524100  1.0
  Te  Te25  1  0.25547100  0.74661700  0.58803700  1.0

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