YbCu4Ag

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1077741 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

YbCu4Ag

MP-ID

mp-1077741

Elements

Sites

Density

10.2957

g/cm³

Volume

86.30

Å³

Cell a

4.9604

Cell b

4.9604

Cell c

4.9604

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
21.95	4.0501	8.4	(1,1,1)
25.39	3.5075	3.0	(1,1,0)
36.22	2.4802	55.1	(2,1,1)
42.75	2.1151	100.0	(2,2,1)
44.75	2.0251	19.9	(2,2,2)
57.24	1.6094	2.4	(3,2,2)
58.87	1.5686	1.3	(3,2,1)
65.15	1.4319	19.4	(3,3,2)
69.65	1.3500	29.6	(3,3,3)
76.88	1.2401	22.0	(4,2,2)
81.11	1.1858	1.9	(4,3,2)
88.06	1.1092	8.8	(4,3,1)

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Energy Properties

Formation Energy/atom

-0.25648

eV/atom

Energy/atom

-17.13522

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.1352

eV/atom

Volume/atom

14.38

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 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

10.5002

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.518%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3006

smaller = more stable mixing

VEC

11.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.889

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.751

Family

Cu-based Alloy

Matrix Element

Cu · 0.667

Related Tasks

Related computation task IDs (5)

aaadmjho aaadstrw aaaeuoyv aaafjgro aaahbawm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1077741

Reference Citation

The crystal structure and related material properties of YbCu4Ag were obtained from the Materials Project database (MP-ID: mp-1077741, 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_YbCu4Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96035694
_cell_length_b   4.96035694
_cell_length_c   4.96035694
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbCu4Ag
_chemical_formula_sum   'Yb1 Cu4 Ag1'
_cell_volume   86.30258213
_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
  Yb  Yb0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.62442125  0.62442125  0.12673526  1.0
  Cu  Cu2  1  0.62442125  0.12673526  0.62442125  1.0
  Cu  Cu3  1  0.12673526  0.62442125  0.62442125  1.0
  Cu  Cu4  1  0.62442125  0.62442125  0.62442125  1.0
  Ag  Ag5  1  0.25000000  0.25000000  0.25000000  1.0

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