Ac2CuGe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-862786 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Ac2CuGe

MP-ID

mp-862786

Elements

Sites

Density

8.5983

g/cm³

Volume

113.98

Å³

Cell a

5.4423

Cell b

5.4423

Cell c

5.4423

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 11)

2θ	d (Å)	I	hkl
23.11	3.8483	30.2	(1,1,0)
32.92	2.7211	100.0	(2,1,1)
40.61	2.2218	9.8	(2,2,2)
47.24	1.9241	18.5	(2,2,0)
53.22	1.7210	14.0	(3,2,1)
58.77	1.5711	38.6	(3,3,2)
69.03	1.3606	11.9	(4,2,2)
73.88	1.2828	7.0	(4,3,3)
78.62	1.2169	16.7	(4,3,1)
83.28	1.1603	4.2	(4,4,2)
87.89	1.1109	4.3	(4,4,4)

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Energy Properties

Formation Energy/atom

-0.38625

eV/atom

Energy/atom

-40.88468

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.8847

eV/atom

Volume/atom

28.49

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0011

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

54.864

GPa

G_VRH

19.110

GPa

Young's Modulus E

51.366

GPa

Poisson Ratio ν

0.344

Pugh Ratio K/G

2.871

Vickers Hardness Est.

0.271

GPa

Ductility

Brittle

Anisotropy

0.072

Lame λ

42.124

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ac · 0.500

Element Family

Actinide

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

3.7569

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

21.317%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4293

smaller = more stable mixing

VEC

4.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.000

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

Ac-rich Multi-Component

Matrix Element

Ac · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0720

Homogeneous Poisson ν

0.3440

Debye Temperature

266.1

Sound Velocity

1,674.8

m/s

Homogeneity

0.3440

Related Tasks

Related computation task IDs (5)

aaachtxv aaadwdhh aaaeimrx aaaeovad aaafshax

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-862786

Reference Citation

The crystal structure and related material properties of Ac2CuGe were obtained from the Materials Project database (MP-ID: mp-862786, 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_Ac2CuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44226954
_cell_length_b   5.44226954
_cell_length_c   5.44226954
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac2CuGe
_chemical_formula_sum   'Ac2 Cu1 Ge1'
_cell_volume   113.97907950
_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
  Ac  Ac0  1  0.50000000  0.50000000  0.50000000  1.0
  Ac  Ac1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Cu  Cu2  1  0.25000000  0.25000000  0.25000000  1.0
  Ge  Ge3  1  0.75000000  0.75000000  0.75000000  1.0

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