Yb2CuGe6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079209 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Yb2CuGe6

MP-ID

mp-1079209

Elements

Sites

Density

8.3250

g/cm³

Volume

168.64

Å³

Cell a

10.7262

Cell b

10.7262

Cell c

4.0319

α Angle

90.00

β Angle

90.00

γ Angle

158.68

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
8.39	10.5411	11.4	(1,-1,0)
16.82	5.2705	4.6	(2,-2,0)
22.05	4.0319	2.8	(0,0,1)
22.80	3.8995	3.2	(1,0,0)
23.63	3.7658	1.9	(1,-1,1)
25.35	3.5137	1.7	(3,-3,0)
25.78	3.4552	12.8	(2,-1,0)
27.86	3.2023	8.1	(2,-2,1)
30.95	2.8896	2.2	(3,-2,0)
31.93	2.8030	1.4	(1,0,1)
33.84	2.6489	22.9	(3,-3,1)
34.02	2.6353	13.7	(4,-4,0)
34.18	2.6236	100.0	(2,-1,1)
37.49	2.3990	9.8	(4,-3,0)
38.32	2.3487	21.5	(3,-2,1)
40.91	2.2059	3.9	(4,-4,1)
42.90	2.1082	3.6	(5,-5,0)
43.92	2.0616	14.6	(4,-3,1)
44.94	2.0172	17.7	(5,-4,0)
44.97	2.0159	23.2	(0,0,2)
45.73	1.9840	22.1	(1,1,0)
48.74	1.8682	4.5	(5,-5,1)
50.60	1.8040	1.6	(5,-4,1)
52.56	1.7412	3.8	(2,-1,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.39191

eV/atom

Energy/atom

-18.96274

eV/atom

Energy above Hull

0.0698

eV/atom

Uncorrected Energy

-18.9627

eV/atom

Volume/atom

18.74

Å³

c/a Ratio

0.3759

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

2.3859

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.119%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3733

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.556

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.532

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.667

Related Tasks

Related computation task IDs (5)

aaadnash aaadsxqm aaaeucqd aaafcpqh aaahbbdl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079209

Reference Citation

The crystal structure and related material properties of Yb2CuGe6 were obtained from the Materials Project database (MP-ID: mp-1079209, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Yb2CuGe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.72616401
_cell_length_b   10.72616401
_cell_length_c   4.03188221
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   158.68148121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2CuGe6
_chemical_formula_sum   'Yb2 Cu1 Ge6'
_cell_volume   168.64118890
_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
  Yb  Yb0  1  0.00439935  0.99560065  0.00000000  1.0
  Yb  Yb1  1  0.66843069  0.33156931  0.00000000  1.0
  Cu  Cu2  1  0.22412249  0.77587751  0.50000000  1.0
  Ge  Ge3  1  0.28501987  0.71498013  0.00000000  1.0
  Ge  Ge4  1  0.40188718  0.59811282  0.00000000  1.0
  Ge  Ge5  1  0.54290677  0.45709323  0.50000000  1.0
  Ge  Ge6  1  0.11564780  0.88435220  0.50000000  1.0
  Ge  Ge7  1  0.90296340  0.09703660  0.50000000  1.0
  Ge  Ge8  1  0.78562144  0.21437856  0.50000000  1.0

Get direct link