Yb10Ho2Sn4N3

High-Entropy Materials HEA

MP-ID: mp-3296720 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

Yb10Ho2Sn4N3

MP-ID

mp-3296720

Elements

Sites

Density

9.7264

g/cm³

Volume

439.98

Å³

Cell a

4.7740

Cell b

4.7740

Cell c

19.3047

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

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 14)

2θ	d (Å)	I	hkl
18.38	4.8262	1.0	(0,0,4)
18.59	4.7740	1.9	(1,0,0)
32.36	2.7662	100.0	(1,1,4)
37.26	2.4131	17.6	(0,0,8)
37.68	2.3870	36.0	(2,0,0)
54.04	1.6970	24.3	(2,0,8)
54.35	1.6879	12.6	(2,2,0)
64.13	1.4523	13.0	(1,1,12)
64.70	1.4408	28.1	(3,1,4)
67.75	1.3831	12.4	(2,2,8)
79.43	1.2065	1.7	(0,0,16)
80.47	1.1935	4.1	(4,0,0)
88.90	1.1009	11.3	(3,1,12)
89.42	1.0959	6.2	(3,3,4)

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Energy Properties

Formation Energy/atom

-1.02175

eV/atom

Energy/atom

-30.36003

eV/atom

Energy above Hull

0.0145

eV/atom

Uncorrected Energy

-30.3600

eV/atom

Volume/atom

23.16

Å³

c/a Ratio

4.0437

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1276

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000290

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.526

Element Family

Lanthanide

Solute Fraction

0.474

Interstitial Fraction

0.158

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1943

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.9292

J/mol·K

Ω Parameter

1.6087

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

23.079%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7076

smaller = more stable mixing

VEC

10.158

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.408

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8615

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfouy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296720

Reference Citation

The crystal structure and related material properties of Yb10Ho2Sn4N3 were obtained from the Materials Project database (MP-ID: mp-3296720, 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_Yb10Ho2Sn4N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77401588
_cell_length_b   4.77401588
_cell_length_c   19.30469904
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb10Ho2Sn4N3
_chemical_formula_sum   'Yb10 Ho2 Sn4 N3'
_cell_volume   439.97779018
_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  0.50000000  0.50000000  0.86468140  1.0
  Yb  Yb1  1  0.50000000  0.50000000  0.13531860  1.0
  Yb  Yb2  1  0.50000000  0.50000000  0.37182691  1.0
  Yb  Yb3  1  0.50000000  0.50000000  0.62817309  1.0
  Yb  Yb4  1  0.50000000  0.00000000  0.00000000  1.0
  Yb  Yb5  1  0.50000000  0.00000000  0.25108615  1.0
  Yb  Yb6  1  0.50000000  0.00000000  0.74891385  1.0
  Yb  Yb7  1  0.00000000  0.50000000  0.00000000  1.0
  Yb  Yb8  1  0.00000000  0.50000000  0.25108615  1.0
  Yb  Yb9  1  0.00000000  0.50000000  0.74891385  1.0
  Ho  Ho10  1  0.50000000  0.00000000  0.50000000  1.0
  Ho  Ho11  1  0.00000000  0.50000000  0.50000000  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.87815634  1.0
  Sn  Sn13  1  0.00000000  0.00000000  0.12184366  1.0
  Sn  Sn14  1  0.00000000  0.00000000  0.38152137  1.0
  Sn  Sn15  1  0.00000000  0.00000000  0.61847863  1.0
  N  N16  1  0.50000000  0.50000000  0.25175161  1.0
  N  N17  1  0.50000000  0.50000000  0.50000000  1.0
  N  N18  1  0.50000000  0.50000000  0.74824839  1.0

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