Yb20(CdAg3)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3293320 · Space group: P422 (#89)

Materials Project API

Basic Information

Formula

Yb20(CdAg3)3

MP-ID

mp-3293320

Elements

Sites

Density

8.8674

g/cm³

Volume

893.03

Å³

Cell a

7.9411

Cell b

7.9411

Cell c

14.1613

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P422

Point Group

422

Crystal System

Tetragonal

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
12.50	7.0806	5.2	(0,0,2)
25.72	3.4632	3.1	(2,0,2)
25.86	3.4447	10.5	(2,1,1)
29.83	2.9948	16.3	(1,1,4)
31.53	2.8379	100.0	(2,1,3)
31.87	2.8076	13.0	(2,2,0)
33.92	2.6425	36.4	(2,0,4)
35.76	2.5112	51.0	(3,1,0)
38.02	2.3668	1.7	(3,1,2)
38.13	2.3602	9.4	(0,0,6)
40.75	2.2143	10.3	(2,1,5)
41.03	2.1998	1.1	(2,2,4)
41.49	2.1763	2.7	(3,2,1)
41.50	2.1758	1.5	(1,1,6)
44.67	2.0288	1.3	(2,0,6)
45.44	1.9959	2.1	(3,2,3)
45.70	1.9853	1.8	(4,0,0)
47.65	1.9084	7.8	(4,1,1)
48.65	1.8718	5.3	(3,3,0)
51.23	1.7833	14.7	(4,1,3)
51.46	1.7757	7.1	(4,2,0)
51.64	1.7702	7.2	(0,0,8)
52.02	1.7578	8.0	(2,1,7)
52.64	1.7386	1.4	(3,2,5)

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Energy Properties

Formation Energy/atom

-0.17164

eV/atom

Energy/atom

-30.89368

eV/atom

Energy above Hull

0.1066

eV/atom

Uncorrected Energy

-30.8937

eV/atom

Volume/atom

27.91

Å³

c/a Ratio

1.7833

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.9880

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004470

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.625

Element Family

Lanthanide

Solute Fraction

0.375

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8724

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2535

J/mol·K

Ω Parameter

18.7180

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.707%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3782

smaller = more stable mixing

VEC

12.969

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.422

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7941

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.518

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.625

Related Tasks

Related computation task IDs (1)

aaahfjue

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293320

Reference Citation

The crystal structure and related material properties of Yb20(CdAg3)3 were obtained from the Materials Project database (MP-ID: mp-3293320, 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_Yb20(CdAg3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94114416
_cell_length_b   7.94114416
_cell_length_c   14.16125053
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb20(CdAg3)3
_chemical_formula_sum   'Yb20 Cd3 Ag9'
_cell_volume   893.03353283
_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  0.00000000  0.00000000  0.75451275  1.0
  Yb  Yb1  1  0.50000000  0.50000000  0.25053301  1.0
  Yb  Yb2  1  0.00000000  0.00000000  0.24548725  1.0
  Yb  Yb3  1  0.50000000  0.50000000  0.74946699  1.0
  Yb  Yb4  1  0.17152731  0.66152847  0.10614525  1.0
  Yb  Yb5  1  0.66699081  0.16626178  0.60906999  1.0
  Yb  Yb6  1  0.82847269  0.33847153  0.10614525  1.0
  Yb  Yb7  1  0.33300919  0.83373822  0.60906999  1.0
  Yb  Yb8  1  0.33847153  0.17152731  0.10614525  1.0
  Yb  Yb9  1  0.83373822  0.66699081  0.60906999  1.0
  Yb  Yb10  1  0.66152847  0.82847269  0.10614525  1.0
  Yb  Yb11  1  0.16626178  0.33300919  0.60906999  1.0
  Yb  Yb12  1  0.33847153  0.82847269  0.89385475  1.0
  Yb  Yb13  1  0.83373822  0.33300919  0.39093001  1.0
  Yb  Yb14  1  0.66152847  0.17152731  0.89385475  1.0
  Yb  Yb15  1  0.16626178  0.66699081  0.39093001  1.0
  Yb  Yb16  1  0.17152731  0.33847153  0.89385475  1.0
  Yb  Yb17  1  0.66699081  0.83373822  0.39093001  1.0
  Yb  Yb18  1  0.82847269  0.66152847  0.89385475  1.0
  Yb  Yb19  1  0.33300919  0.16626178  0.39093001  1.0
  Cd  Cd20  1  0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd21  1  0.00000000  0.00000000  0.00000000  1.0
  Cd  Cd22  1  0.50000000  0.50000000  0.50000000  1.0
  Ag  Ag23  1  0.62825491  0.12765422  0.24860476  1.0
  Ag  Ag24  1  0.12765422  0.62825491  0.75139524  1.0
  Ag  Ag25  1  0.87234578  0.37174509  0.75139524  1.0
  Ag  Ag26  1  0.37174509  0.87234578  0.24860476  1.0
  Ag  Ag27  1  0.37174509  0.12765422  0.75139524  1.0
  Ag  Ag28  1  0.87234578  0.62825491  0.24860476  1.0
  Ag  Ag29  1  0.12765422  0.37174509  0.24860476  1.0
  Ag  Ag30  1  0.62825491  0.87234578  0.75139524  1.0
  Ag  Ag31  1  0.50000000  0.50000000  0.00000000  1.0

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