ErCu5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30579 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

ErCu5

MP-ID

mp-30579

Elements

Sites

Density

9.6999

g/cm³

Volume

83.03

Å³

Cell a

4.8968

Cell b

4.8968

Cell c

4.8968

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

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
22.23	3.9982	21.7	(1,0,0)
22.23	3.9982	7.2	(0,0,1)
25.73	3.4625	10.1	(0,1,1)
25.73	3.4625	10.1	(1,0,1)
25.73	3.4625	10.1	(1,1,0)
36.71	2.4484	22.7	(1,-1,0)
36.71	2.4484	45.5	(2,1,1)
36.71	2.4484	22.7	(1,1,2)
36.71	2.4484	45.5	(1,0,-1)
43.33	2.0880	100.0	(2,0,1)
43.33	2.0880	50.0	(2,1,2)
43.33	2.0880	75.0	(2,1,0)
43.33	2.0880	50.0	(1,2,0)
43.33	2.0880	25.0	(1,1,-1)
45.37	1.9991	19.2	(2,0,0)
45.37	1.9991	38.3	(2,2,2)
45.37	1.9991	19.2	(0,0,2)
58.06	1.5887	3.6	(3,2,2)
58.06	1.5887	1.4	(1,1,3)
59.72	1.5485	1.9	(1,-2,-1)
59.72	1.5485	1.9	(2,-1,1)
59.72	1.5485	1.9	(1,2,3)
59.72	1.5485	2.8	(3,2,1)
59.72	1.5485	1.9	(2,1,-1)

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Energy Properties

Formation Energy/atom

-0.19255

eV/atom

Energy/atom

-14.88578

eV/atom

Energy above Hull

0.0009

eV/atom

Uncorrected Energy

-14.8858

eV/atom

Volume/atom

13.84

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

K_VRH

106.265

GPa

G_VRH

14.638

GPa

Young's Modulus E

41.986

GPa

Poisson Ratio ν

0.434

Pugh Ratio K/G

7.260

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.565

Lame λ

96.506

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.833

Element Family

N/A

Solute Fraction

0.167

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.797

Family

Cu-based Alloy

Matrix Element

Cu · 0.833

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5650

Homogeneous Poisson ν

0.4340

Debye Temperature

199.4

Sound Velocity

1,397.0

m/s

Homogeneity

0.4340

Related Tasks

Related computation task IDs (5)

aaadmnzx aaadsuuu aaaelgoc aaaeuqmk aaafjilq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30579

Reference Citation

The crystal structure and related material properties of ErCu5 were obtained from the Materials Project database (MP-ID: mp-30579, 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_ErCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89676618
_cell_length_b   4.89676632
_cell_length_c   4.89676557
_cell_angle_alpha   59.99996951
_cell_angle_beta   59.99998546
_cell_angle_gamma   60.00001603
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErCu5
_chemical_formula_sum   'Er1 Cu5'
_cell_volume   83.02578032
_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  0.25000000  0.25000000  0.25000000  1.0
  Cu  Cu2  1  0.62402700  0.62402600  0.62402600  1.0
  Cu  Cu3  1  0.62402600  0.62402700  0.12791999  1.0
  Cu  Cu4  1  0.12791999  0.62402700  0.62402700  1.0
  Cu  Cu5  1  0.62402600  0.12791999  0.62402700  1.0

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