CuGeRh2

高熵材料 HEA 传统材料 TRA 弹性数据 ELA

MP-ID: mp-867917 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

CuGeRh2

MP-ID

mp-867917

Elements

Sites

Density

10.8570

g/cm³

Volume

52.31

Å³

Cell a

4.1978

Cell b

4.1978

Cell c

4.1978

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 6)

2θ	d (Å)	I	hkl
30.11	2.9683	4.8	(1,1,0)
43.10	2.0989	100.0	(2,1,1)
53.47	1.7138	1.3	(2,2,2)
62.59	1.4842	15.9	(2,2,0)
71.01	1.3275	1.7	(3,2,1)
79.01	1.2118	31.8	(3,3,2)

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Energy Properties

Formation Energy/atom

-0.39097

eV/atom

Energy/atom

-18.63878

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.6388

eV/atom

Volume/atom

13.08

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

199.920

GPa

G_VRH

66.761

GPa

Young's Modulus E

180.222

GPa

Poisson Ratio ν

0.350

Pugh Ratio K/G

2.995

Vickers Hardness Est.

3.472

GPa

Ductility

Brittle

Anisotropy

0.270

Lame λ

155.413

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2700

Homogeneous Poisson ν

0.3500

Debye Temperature

352.2

Sound Velocity

2,787.9

m/s

Homogeneity

0.3500

Related Tasks

Related computation task IDs (5)

aaacibpe aaadwjze aaaehkvt aaaetdow aaafxetm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-867917

Reference Citation

The crystal structure and related material properties of CuGeRh2 were obtained from the Materials Project database (MP-ID: mp-867917, 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_CuGeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19783914
_cell_length_b   4.19783914
_cell_length_c   4.19783914
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGeRh2
_chemical_formula_sum   'Cu1 Ge1 Rh2'
_cell_volume   52.30730910
_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
  Cu  Cu0  1  0.25000100  0.25000100  0.25000100  1.0
  Ge  Ge1  1  0.75000100  0.75000100  0.75000100  1.0
  Rh  Rh2  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh3  1  0.50000000  0.50000000  0.50000000  1.0

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