Be2CuRh

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-865308 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Be2CuRh

MP-ID

mp-865308

Elements

Sites

Density

7.6199

g/cm³

Volume

40.20

Å³

Cell a

3.8452

Cell b

3.8452

Cell c

3.8452

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

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 24)

2θ	d (Å)	I	hkl
28.43	3.1396	7.4	(0,0,1)
28.43	3.1396	14.8	(1,0,0)
28.43	3.1396	7.4	(1,1,1)
32.94	2.7190	100.0	(1,0,1)
32.94	2.7190	100.0	(1,1,0)
32.94	2.7190	100.0	(0,1,1)
47.28	1.9226	46.6	(0,1,-1)
47.28	1.9226	46.6	(1,0,-1)
47.28	1.9226	46.6	(1,-1,0)
47.28	1.9226	46.6	(1,1,2)
47.28	1.9226	46.6	(2,1,1)
47.28	1.9226	46.6	(1,2,1)
56.09	1.6396	2.3	(1,1,-1)
56.09	1.6396	2.3	(1,0,2)
56.09	1.6396	1.2	(2,0,1)
56.09	1.6396	3.5	(2,1,0)
56.09	1.6396	1.2	(0,2,1)
56.09	1.6396	1.2	(2,1,2)
56.09	1.6396	1.2	(2,2,1)
56.09	1.6396	1.2	(1,2,2)
58.83	1.5698	18.1	(0,0,2)
58.83	1.5698	36.1	(2,0,0)
58.83	1.5698	18.1	(2,2,2)
69.09	1.3595	14.3	(2,0,2)

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Energy Properties

Formation Energy/atom

-0.42236

eV/atom

Energy/atom

-5.15794

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.3588

eV/atom

Volume/atom

10.05

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

171.518

GPa

G_VRH

52.236

GPa

Young's Modulus E

142.266

GPa

Poisson Ratio ν

0.362

Pugh Ratio K/G

3.284

Vickers Hardness Est.

2.034

GPa

Ductility

Brittle

Anisotropy

3.669

Lame λ

136.694

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Be · 0.500

Element Family

Alkali-AlkEarth

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.5893

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.011%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2927

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-24.624

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.509

Family

Be-rich Multi-Component

Matrix Element

Be · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

3.6690

Homogeneous Poisson ν

0.3620

Debye Temperature

406.6

Sound Velocity

2,948.4

m/s

Homogeneity

0.3620

Related Tasks

Related computation task IDs (5)

aaadnrpp aaadwlzm aaaehfea aaaettuk aaafiucb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-865308

Reference Citation

The crystal structure and related material properties of Be2CuRh were obtained from the Materials Project database (MP-ID: mp-865308, 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_Be2CuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84519328
_cell_length_b   3.84519185
_cell_length_c   3.84519400
_cell_angle_alpha   60.00017848
_cell_angle_beta   60.00014155
_cell_angle_gamma   60.00014764
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuRh
_chemical_formula_sum   'Be2 Cu1 Rh1'
_cell_volume   40.20138176
_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
  Be  Be0  1  0.49999900  0.50000000  0.49999900  1.0
  Be  Be1  1  0.00000000  0.00000000  -0.00000000  1.0
  Cu  Cu2  1  0.25000000  0.25000000  0.25000000  1.0
  Rh  Rh3  1  0.75000100  0.75000000  0.75000100  1.0

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