ErCu4Ag

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1077498 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

ErCu4Ag

MP-ID

mp-1077498

Elements

Sites

Density

10.0842

g/cm³

Volume

87.16

Å³

Cell a

4.9767

Cell b

4.9767

Cell c

4.9767

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
21.87	4.0635	7.4	(1,1,1)
25.31	3.5191	2.6	(1,1,0)
36.10	2.4884	54.4	(2,1,1)
42.60	2.1221	100.0	(2,2,1)
44.60	2.0317	20.3	(2,2,2)
57.04	1.6147	2.1	(3,2,2)
58.66	1.5738	1.0	(3,2,1)
64.91	1.4367	19.1	(3,3,2)
69.38	1.3545	29.6	(3,3,3)
76.58	1.2442	22.1	(4,2,2)
80.78	1.1897	1.7	(4,3,2)
87.70	1.1128	8.6	(4,3,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.24233

eV/atom

Energy/atom

-4.21024

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.6870

eV/atom

Volume/atom

14.53

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

11.4537

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.518%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2484

smaller = more stable mixing

VEC

11.167

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)

aaadmnbo aaadswkx aaaemumx aaaeuozd aaafsbfm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1077498

Reference Citation

The crystal structure and related material properties of ErCu4Ag were obtained from the Materials Project database (MP-ID: mp-1077498, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_ErCu4Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97673335
_cell_length_b   4.97673335
_cell_length_c   4.97673335
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErCu4Ag
_chemical_formula_sum   'Er1 Cu4 Ag1'
_cell_volume   87.16018004
_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
  Er  Er0  1  0.00000000  0.00000000  -0.00000000  1.0
  Cu  Cu1  1  0.62425204  0.62425204  0.12724389  1.0
  Cu  Cu2  1  0.62425104  0.12724389  0.62425204  1.0
  Cu  Cu3  1  0.12724389  0.62425104  0.62425204  1.0
  Cu  Cu4  1  0.62425204  0.62425204  0.62425104  1.0
  Ag  Ag5  1  0.25000000  0.25000000  0.25000000  1.0

Get direct link