ErCu2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1024991 · Space group: Imma (#74)

Materials Project API

Basic Information

Formula

ErCu2

MP-ID

mp-1024991

Elements

Sites

Density

9.5910

g/cm³

Volume

101.93

Å³

Cell a

4.2535

Cell b

5.3442

Cell c

5.3442

α Angle

77.00

β Angle

66.55

γ Angle

66.55

Space Group

Imma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
24.30	3.6626	23.0	(1,0,0)
24.72	3.6014	7.8	(0,1,1)
26.80	3.3268	3.7	(0,1,-1)
35.33	2.5403	40.6	(1,0,-1)
36.49	2.4626	100.0	(1,1,-1)
36.78	2.4437	38.2	(0,2,0)
39.92	2.2584	13.0	(0,2,1)
42.51	2.1268	32.6	(2,1,1)
42.65	2.1197	15.1	(0,2,-1)
43.27	2.0908	20.1	(1,-1,-1)
43.27	2.0908	20.1	(1,2,2)
49.79	1.8313	1.3	(2,0,0)
49.79	1.8313	1.3	(2,2,2)
50.96	1.7919	1.5	(2,2,0)
55.22	1.6634	6.4	(0,2,-2)
56.48	1.6292	5.4	(0,3,0)
57.26	1.6090	4.0	(1,-1,-2)
57.26	1.6090	4.0	(1,3,2)
57.44	1.6043	20.7	(2,1,-1)
58.26	1.5836	4.4	(0,3,1)
59.72	1.5483	4.0	(2,0,-1)
59.72	1.5483	4.0	(2,3,2)
61.20	1.5145	5.0	(1,2,-2)
61.20	1.5145	5.0	(1,3,-1)

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Energy Properties

Formation Energy/atom

-0.28406

eV/atom

Energy/atom

-18.82374

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.8237

eV/atom

Volume/atom

16.99

Å³

c/a Ratio

1.2564

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

86.857

GPa

G_VRH

24.491

GPa

Young's Modulus E

67.161

GPa

Poisson Ratio ν

0.371

Pugh Ratio K/G

3.546

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.702

Lame λ

70.530

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.788

Family

Cu-based Alloy

Matrix Element

Cu · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.7020

Homogeneous Poisson ν

0.3710

Debye Temperature

276.0

Sound Velocity

1,801.8

m/s

Homogeneity

0.3710

Related Tasks

Related computation task IDs (5)

aaacizbq aaadrmry aaaemqdp aaaeukhv aaafxhbd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1024991

Reference Citation

The crystal structure and related material properties of ErCu2 were obtained from the Materials Project database (MP-ID: mp-1024991, 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…

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Raw CIF Data

# generated using pymatgen
data_ErCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25353875
_cell_length_b   5.34424287
_cell_length_c   5.34424287
_cell_angle_alpha   76.99913704
_cell_angle_beta   66.54959408
_cell_angle_gamma   66.54959408
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErCu2
_chemical_formula_sum   'Er2 Cu4'
_cell_volume   101.92505151
_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
  Er  Er0  1  0.45386390  0.29613610  0.79613610  1.0
  Er  Er1  1  0.54613610  0.70386390  0.20386390  1.0
  Cu  Cu2  1  0.83608418  0.11072655  0.21710409  1.0
  Cu  Cu3  1  0.16391582  0.88927345  0.78289591  1.0
  Cu  Cu4  1  0.83608418  0.71710409  0.61072655  1.0
  Cu  Cu5  1  0.16391582  0.28289591  0.38927345  1.0

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