Yb4Al3CrO10

High-Entropy Materials HEA

MP-ID: mp-3292722 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

Yb4Al3CrO10

MP-ID

mp-3292722

Elements

Sites

Density

8.2489

g/cm³

Volume

396.61

Å³

Cell a

5.1940

Cell b

5.4436

Cell c

15.0318

α Angle

68.93

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

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
12.62	7.0136	40.4	(0,0,2)
17.46	5.0798	1.5	(0,1,0)
23.68	3.7579	100.0	(1,1,1)
25.07	3.5520	6.1	(0,1,-2)
25.14	3.5419	3.1	(0,1,4)
25.40	3.5068	31.0	(0,0,4)
26.89	3.3151	4.5	(1,1,-1)
26.94	3.3096	4.7	(1,1,3)
32.91	2.7218	47.5	(0,2,2)
34.54	2.5970	51.9	(2,0,0)
34.96	2.5664	63.4	(1,1,-3)
35.03	2.5613	63.5	(1,1,5)
35.34	2.5399	1.4	(0,2,0)
35.41	2.5349	1.4	(0,2,4)
36.06	2.4908	1.5	(0,1,6)
36.91	2.4354	1.9	(2,0,2)
37.85	2.3770	1.2	(1,2,1)
37.88	2.3750	2.9	(1,2,3)
38.51	2.3379	8.2	(0,0,6)
38.95	2.3123	1.2	(2,1,0)
41.96	2.1532	14.2	(0,2,-2)
42.08	2.1471	14.1	(0,2,6)
42.13	2.1450	2.1	(1,2,-1)
42.22	2.1405	3.9	(1,2,5)

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Energy Properties

Formation Energy/atom

-2.88223

eV/atom

Energy/atom

-16.27737

eV/atom

Energy above Hull

0.6138

eV/atom

Uncorrected Energy

-16.2774

eV/atom

Volume/atom

11.02

Å³

c/a Ratio

2.8941

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.1518

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.015510

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.556

Element Family

Metalloid-Nonmetal

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1200

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3116

J/mol·K

Ω Parameter

13.8508

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

48.277%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0476

smaller = more stable mixing

VEC

6.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.370

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8079

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfixe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292722

Reference Citation

The crystal structure and related material properties of Yb4Al3CrO10 were obtained from the Materials Project database (MP-ID: mp-3292722, 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_Yb4Al3CrO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19398761
_cell_length_b   5.44361664
_cell_length_c   15.03177362
_cell_angle_alpha   68.93494384
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb4Al3CrO10
_chemical_formula_sum   'Yb8 Al6 Cr2 O20'
_cell_volume   396.60738398
_cell_formula_units_Z   2
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  0.00516637  0.63373942  0.89464250  1.0
  Yb  Yb1  1  0.50516637  0.36626058  0.60535750  1.0
  Yb  Yb2  1  0.99342702  0.07696648  0.39484123  1.0
  Yb  Yb3  1  0.49342702  0.92303352  0.10515877  1.0
  Yb  Yb4  1  0.99483363  0.36626058  0.10535750  1.0
  Yb  Yb5  1  0.49483363  0.63373942  0.39464250  1.0
  Yb  Yb6  1  0.00657298  0.92303352  0.60515877  1.0
  Yb  Yb7  1  0.50657298  0.07696648  0.89484123  1.0
  Al  Al8  1  0.55070577  0.67326571  0.75100963  1.0
  Al  Al9  1  0.05070577  0.32673429  0.74899037  1.0
  Al  Al10  1  0.44929423  0.32673429  0.24899037  1.0
  Al  Al11  1  0.94929423  0.67326571  0.25100963  1.0
  Al  Al12  1  0.50000000  0.50000000  0.00000000  1.0
  Al  Al13  1  0.00000000  0.50000000  0.50000000  1.0
  Cr  Cr14  1  0.50000000  0.00000000  0.50000000  1.0
  Cr  Cr15  1  0.00000000  0.00000000  0.00000000  1.0
  O  O16  1  0.25583504  0.73001086  0.01365479  1.0
  O  O17  1  0.75583504  0.26998914  0.48634521  1.0
  O  O18  1  0.75352593  0.72864313  0.51323063  1.0
  O  O19  1  0.25352593  0.27135687  0.98676937  1.0
  O  O20  1  0.74416496  0.26998914  0.98634521  1.0
  O  O21  1  0.24416496  0.73001086  0.51365479  1.0
  O  O22  1  0.24647407  0.27135687  0.48676937  1.0
  O  O23  1  0.74647407  0.72864313  0.01323063  1.0
  O  O24  1  0.88995006  0.61523100  0.74953465  1.0
  O  O25  1  0.38995006  0.38476900  0.75046535  1.0
  O  O26  1  0.11004994  0.38476900  0.25046535  1.0
  O  O27  1  0.61004994  0.61523100  0.24953465  1.0
  O  O28  1  0.48446004  0.70556254  0.85950731  1.0
  O  O29  1  0.98446004  0.29443746  0.64049269  1.0
  O  O30  1  0.52031138  0.07615769  0.35688433  1.0
  O  O31  1  0.02031138  0.92384231  0.14311567  1.0
  O  O32  1  0.51553996  0.29443746  0.14049269  1.0
  O  O33  1  0.01553996  0.70556254  0.35950731  1.0
  O  O34  1  0.47968862  0.92384231  0.64311567  1.0
  O  O35  1  0.97968862  0.07615769  0.85688433  1.0

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