YbAgGe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9776 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

YbAgGe

MP-ID

mp-9776

Elements

Sites

Density

9.9295

g/cm³

Volume

177.38

Å³

Cell a

7.0332

Cell b

7.0332

Cell c

4.1406

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

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
21.46	4.1406	1.3	(0,0,0,1)
25.33	3.5166	5.5	(2,-1,-1,0)
26.02	3.4243	3.9	(1,0,-1,1)
29.33	3.0455	3.6	(2,-2,0,0)
29.33	3.0455	7.1	(2,0,-2,0)
33.43	2.6804	100.0	(2,-1,-1,1)
36.63	2.4533	85.4	(2,0,-2,1)
39.13	2.3022	46.3	(3,-1,-2,0)
43.72	2.0703	27.6	(0,0,0,2)
44.63	2.0303	18.5	(3,0,-3,0)
45.06	2.0121	10.3	(3,-1,-2,1)
51.20	1.7841	1.8	(2,-1,-1,2)
52.01	1.7583	2.5	(4,-2,-2,0)
53.52	1.7121	4.2	(2,0,-2,2)
54.30	1.6893	4.7	(4,-3,-1,0)
54.30	1.6893	9.3	(4,-1,-3,0)
56.89	1.6184	2.6	(4,-2,-2,1)
59.06	1.5641	23.4	(4,-1,-3,1)
60.11	1.5394	25.6	(3,-1,-2,2)
60.83	1.5227	2.7	(4,0,-4,0)
64.26	1.4496	12.2	(3,0,-3,2)
65.29	1.4292	1.4	(4,0,-4,1)
66.97	1.3974	1.7	(5,-2,-3,0)
70.23	1.3402	2.0	(4,-2,-2,2)

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Energy Properties

Formation Energy/atom

-0.69363

eV/atom

Energy/atom

-24.61270

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.6127

eV/atom

Volume/atom

19.71

Å³

c/a Ratio

0.5887

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

K_VRH

60.397

GPa

G_VRH

30.788

GPa

Young's Modulus E

78.949

GPa

Poisson Ratio ν

0.282

Pugh Ratio K/G

1.962

Vickers Hardness Est.

3.751

GPa

Ductility

Brittle

Anisotropy

0.294

Lame λ

39.872

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

1.9056

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.924%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4114

smaller = more stable mixing

VEC

9.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.661

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2940

Homogeneous Poisson ν

0.2820

Debye Temperature

270.6

Sound Velocity

1,962.5

m/s

Homogeneity

0.2820

Related Tasks

Related computation task IDs (5)

aaadnblb aaadswyg aaaeubvc aaafcrtt aaahbahr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9776

Reference Citation

The crystal structure and related material properties of YbAgGe were obtained from the Materials Project database (MP-ID: mp-9776, 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_YbAgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03317290
_cell_length_b   7.03317290
_cell_length_c   4.14056901
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbAgGe
_chemical_formula_sum   'Yb3 Ag3 Ge3'
_cell_volume   177.37533792
_cell_formula_units_Z   3
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  0.00000000  0.58416745  0.00000000  1.0
  Yb  Yb1  1  0.41583255  0.41583255  0.00000000  1.0
  Yb  Yb2  1  0.58416745  0.00000000  0.00000000  1.0
  Ag  Ag3  1  0.25223350  0.00000000  0.50000000  1.0
  Ag  Ag4  1  0.74776650  0.74776650  0.50000000  1.0
  Ag  Ag5  1  0.00000000  0.25223350  0.50000000  1.0
  Ge  Ge6  1  0.00000000  0.00000000  0.00000000  1.0
  Ge  Ge7  1  0.66666700  0.33333300  0.50000000  1.0
  Ge  Ge8  1  0.33333300  0.66666700  0.50000000  1.0

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